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Heterocyclic compounds

Nitrilase

Also known as nitrile aminohydrolase

CAS 9024-90-2Formula C72H75N2O15PMolar mass 1,239.37 g/molEC 618-514-4
GHS signal word: Danger. Pictograms: Harmful or irritant, Serious health hazard 2 suppliers listed
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Nitrilase chemical structure, C72H75N2O15P, CAS 9024-90-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
9024-90-2
Formula
C72H75N2O15P
Molar mass
1,239.37 g/mol
EC number
618-514-4
HS code
293299
Category
Heterocyclic compounds

What is Nitrilase?

Plain description, key identifiers and synonyms

Nitrilase is a chemical substance with the molecular formula C72H75N2O15P and a molar mass of 1,239.37 g/mol. Its CAS registry number is 9024-90-2. The IUPAC name is dibenzyl [4-[3-[2-methoxy-5-[2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]anilino]-2-methyl-3-oxopropyl]phenyl] phosphate, N-[2-methoxy-5-[2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]phenyl]-2-methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
dibenzyl [4-[3-[2-methoxy-5-[2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]anilino]-2-methyl-3-oxopropyl]phenyl] phosphate, N-[2-methoxy-5-[2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]phenyl]-2-methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide
CAS number
9024-90-2
EC number
618-514-4
Molecular formula
C72H75N2O15P
InChIKey
SSEVSZZAMDDDFK-UHFFFAOYSA-N
InChI
InChI=1S/C41H40NO9P.C31H35NO6/c1-29(41(43)42-36-23-31(18-21-37(36)45-2)14-15-34-24-38(46-3)40-39(25-34)47-28-48-40)22-30-16-19-35(20-17-30)51-52(44,49-26-32-10-6-4-7-11-32)50-27-33-12-8-5-9-13-33;1-20(15-21-9-12-24(13-10-21)38-31(2,3)4)30(33)32-25-16-22(11-14-26(25)34-5)7-8-23-17-27(35-6)29-28(18-23)36-19-37-29/h4-21,23-25,29H,22,26-28H2,1-3H3,(H,42,43);7-14,16-18,20H,15,19H2,1-6H3,(H,32,33)
SMILES (canonical and isomeric)
CC(CC1=CC=C(C=C1)OC(C)(C)C)C(=O)NC2=C(C=CC(=C2)C=CC3=CC4=C(C(=C3)OC)OCO4)OC.CC(CC1=CC=C(C=C1)OP(=O)(OCC2=CC=CC=C2)OCC3=CC=CC=C3)C(=O)NC4=C(C=CC(=C4)C=CC5=CC6=C(C(=C5)OC)OCO6)OC

Synonyms

  • nitrile aminohydrolase

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
1,239.37 g/molcalc.
Exact mass
1,238.4905 Dacalc.
LogP (octanol/water)
15.94calc.
Topological polar surface area
186 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
15calc.
Rotatable bonds
25calc.
Heavy atoms
90calc.
Rings
10calc.
Aromatic rings
8calc.
Fraction sp3 carbons
0.25calc.
Formal charge
0calc.
Stereocentres
2calc.
Components
2calc.
Lipinski rule of five
Fails (3 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=C(CCc1ccc(OP(=O)(OCc2ccccc2)OCc2ccccc2)cc1)Nc1cccc(C=Cc2ccc3c(c2)OCO3)c1

O=C(CCc1ccc(OP(=O)(OCc2ccccc2)OCc2ccccc2)cc1)Nc1cccc(C=Cc2ccc3c(c2)OCO3)c1

6 rings, 47 atoms.

No other chemical in our database has this scaffold.

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS07: Harmful or irritant
Harmful or irritant
GHS08: Serious health hazard
Serious health hazard

Hazard statements

  • H317May cause an allergic skin reaction.
  • H334May cause allergy or asthma symptoms or breathing difficulties if inhaled.
Precautionary statements (15)
  • P233Keep container tightly closed.
  • P260Do not breathe dust, fume, gas, mist, vapours or spray.
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P271Use only outdoors or in a well-ventilated area.
  • P272Contaminated work clothing should not be allowed out of the workplace.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P284In case of inadequate ventilation wear respiratory protection.
  • P302 + P352If on skin: Wash with plenty of water.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P333 + P317If skin irritation or rash occurs: Get medical help.
  • P342 + P316If experiencing respiratory symptoms: Get emergency medical help immediately.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • P403Store in a well-ventilated place.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Nitrilase suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

All 2 suppliers

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Where suppliers are based

2 suppliers in 1 country

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Nitrilase price

Indicative price range per kg from live supplier offers

No published prices right now

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Uses and applications

What the substance is used for, by industry and function

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Nitrilase is traded under.

HS 2932.99Indicative HS code

Heterocyclic compounds with oxygen hetero-atom(s) only, other

World exports in 2024
$3.81B
+10.3% vs 2023, imports $7.05B
2019 to 2024
Top exporters
  1. China28.9%
  2. Switzerland * partner reported12.7%
  3. Germany7.8%
Top importers
  1. United States49.7%
  2. China11.9%
  3. India * partner reported3.3%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Nitrilase is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Nitrilase, based on the data on this page

What is Nitrilase?

Nitrilase is a chemical substance with the molecular formula C72H75N2O15P and a molar mass of 1,239.37 g/mol. Its CAS registry number is 9024-90-2.

What is the CAS number of Nitrilase?

The CAS registry number of Nitrilase is 9024-90-2.

What is the molecular formula and weight of Nitrilase?

The molecular formula of Nitrilase is C72H75N2O15P and its molar mass is 1,239.37 g/mol.

Is Nitrilase hazardous?

Nitrilase carries the GHS signal word "Danger". Main hazards: may cause an allergic skin reaction, may cause allergy or asthma symptoms or breathing difficulties if inhaled. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Nitrilase?

Nitrilase is usually classified under HS code 293299 (Heterocyclic compounds with oxygen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Nitrilase?

CompoundList lists 2 suppliers of Nitrilase in China. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Nitrilase?

Suppliers quote Nitrilase on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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