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Aromatic building blocks

Vpc44116

Also known as [(3R)-3-amino-4-[(3-octylphenyl)amino]-4-oxobutyl]phosphonic acid, ((3R)-3-amino-4-((3-octylphenyl)amino)-4-oxobutyl)phosphonic acid, [(3R)-3-amino-4-(3-octylanilino)-4-oxobutyl]phosphonic acid

CAS 1161429-70-4Formula C18H31N2O4PMolar mass 370.43 g/mol
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Vpc44116 chemical structure, C18H31N2O4P, CAS 1161429-70-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1161429-70-4
Formula
C18H31N2O4P
Molar mass
370.43 g/mol
HS code
293149
Category
Aromatic building blocks

What is Vpc44116?

Plain description, key identifiers and synonyms

Vpc44116 is a chemical substance with the molecular formula C18H31N2O4P and a molar mass of 370.43 g/mol. Its CAS registry number is 1161429-70-4. The IUPAC name is [(3R)-3-amino-4-(3-octylanilino)-4-oxobutyl]phosphonic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(3R)-3-amino-4-(3-octylanilino)-4-oxobutyl]phosphonic acid
CAS number
1161429-70-4Other or deprecated CAS: 925978-30-9
Molecular formula
C18H31N2O4P
InChIKey
FMLHSOGKNHADEE-QGZVFWFLSA-N
InChI
InChI=1S/C18H31N2O4P/c1-2-3-4-5-6-7-9-15-10-8-11-16(14-15)20-18(21)17(19)12-13-25(22,23)24/h8,10-11,14,17H,2-7,9,12-13,19H2,1H3,(H,20,21)(H2,22,23,24)/t17-/m1/s1
Canonical SMILES
CCCCCCCCc1cccc(NC(=O)C(N)CCP(=O)(O)O)c1
Isomeric SMILES
CCCCCCCCC1=CC(=CC=C1)NC(=O)[C@@H](CCP(=O)(O)O)N

Synonyms

  • [(3R)-3-amino-4-[(3-octylphenyl)amino]-4-oxobutyl]phosphonic acid
  • ((3R)-3-amino-4-((3-octylphenyl)amino)-4-oxobutyl)phosphonic acid
  • [(3R)-3-amino-4-(3-octylanilino)-4-oxobutyl]phosphonic acid
  • VPC 44116
  • VPC44116, VPC 44116, VPC-44116
  • [3-amino-3-(3-octylphenylcarbamoyl)propyl]-phosphonic acid
  • VPC 44116, (R)-(3-amino-4-((3-octylphenyl)amino)-4-oxobutyl)phosphonic acid, powder

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
370.43 g/molcalc.
Exact mass
370.2021 Dacalc.
LogP (octanol/water)
3.42calc.
Topological polar surface area
112.7 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
12calc.
Heavy atoms
25calc.
Rings
1calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.61calc.
Formal charge
0calc.
Stereocentres
1calc.
Lipinski rule of five
Passes (0 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, c1ccccc1

c1ccccc1

1 ring, 6 atoms, the Benzene ring system.

485,677 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

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

Vpc44116 suppliers

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Vpc44116 price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

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 Vpc44116 is traded under.

HS 2931.49Indicative HS code

Non-halogenated organo-phosphorous derivatives, other

World exports in 2024
$3.44B
−6.5% vs 2023, imports $3.07B
2022 to 2024
Top exporters
  1. China54.9%
  2. United States25.4%
  3. Germany5.1%
Top importers
  1. United States20.9%
  2. Argentina14.9%
  3. Brazil14.3%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Vpc44116 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Vpc44116, based on the data on this page

What is Vpc44116?

Vpc44116 is a chemical substance with the molecular formula C18H31N2O4P and a molar mass of 370.43 g/mol. Its CAS registry number is 1161429-70-4. The IUPAC name is [(3R)-3-amino-4-(3-octylanilino)-4-oxobutyl]phosphonic acid.

What is the CAS number of Vpc44116?

The CAS registry number of Vpc44116 is 1161429-70-4. Other or deprecated CAS numbers: 925978-30-9.

What is the molecular formula and weight of Vpc44116?

The molecular formula of Vpc44116 is C18H31N2O4P and its molar mass is 370.43 g/mol.

What is Vpc44116 used for?

Known uses and roles of Vpc44116 include building blocks in research and laboratory.

Is Vpc44116 hazardous?

No GHS hazard classification for Vpc44116 is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Vpc44116?

Vpc44116 is usually classified under HS code 293149 (Non-halogenated organo-phosphorous derivatives, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Vpc44116?

Post a free request on CompoundList and suppliers of Vpc44116 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Vpc44116?

Suppliers quote Vpc44116 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

Practical guides that help when you source, ship or handle Vpc44116

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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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