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Aromatic building blocks

Orb1699202

Also known as Methyl-(2-phenyl-allyl)-prop-2-ynyl-amine hydrochloride

CAS 1648929-13-8Formula C13H16ClNMolar mass 221.73 g/mol
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Orb1699202 chemical structure, C13H16ClN, CAS 1648929-13-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1648929-13-8
Formula
C13H16ClN
Molar mass
221.73 g/mol
HS code
292149
Category
Aromatic building blocks

What is Orb1699202?

Plain description, key identifiers and synonyms

Orb1699202 is a chemical substance with the molecular formula C13H16ClN and a molar mass of 221.73 g/mol. Its CAS registry number is 1648929-13-8. The IUPAC name is N-methyl-2-phenyl-N-prop-2-ynylprop-2-en-1-amine, hydrochloride.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
N-methyl-2-phenyl-N-prop-2-ynylprop-2-en-1-amine, hydrochloride
CAS number
1648929-13-8
Molecular formula
C13H16ClN
InChIKey
XCBZPJYEYUMBFA-UHFFFAOYSA-N
InChI
InChI=1S/C13H15N.ClH/c1-4-10-14(3)11-12(2)13-8-6-5-7-9-13;/h1,5-9H,2,10-11H2,3H3;1H
SMILES (canonical and isomeric)
CN(CC#C)CC(=C)C1=CC=CC=C1.Cl

Synonyms

  • Methyl-(2-phenyl-allyl)-prop-2-ynyl-amine hydrochloride

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
221.73 g/molcalc.
Exact mass
221.0971 Dacalc.
LogP (octanol/water)
2.69calc.
Topological polar surface area
3.24 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
1calc.
Rotatable bonds
4calc.
Heavy atoms
15calc.
Rings
1calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.23calc.
Formal charge
0calc.
Stereocentres
0calc.
Components
2calc.
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.

Orb1699202 suppliers

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Orb1699202 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 Orb1699202 is traded under.

HS 2921.49Indicative HS code

Aromatic monoamines and their derivatives, salts thereof, other

World exports in 2024
$1.14B
+5.6% vs 2023, imports $1.06B
2019 to 2024
Top exporters
  1. Germany23.3%
  2. China19.4%
  3. Singapore14.6%
Top importers
  1. Belgium15.9%
  2. South Korea15.0%
  3. Germany12.8%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Orb1699202 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Orb1699202, based on the data on this page

What is Orb1699202?

Orb1699202 is a chemical substance with the molecular formula C13H16ClN and a molar mass of 221.73 g/mol. Its CAS registry number is 1648929-13-8. The IUPAC name is N-methyl-2-phenyl-N-prop-2-ynylprop-2-en-1-amine, hydrochloride.

What is the CAS number of Orb1699202?

The CAS registry number of Orb1699202 is 1648929-13-8.

What is the molecular formula and weight of Orb1699202?

The molecular formula of Orb1699202 is C13H16ClN and its molar mass is 221.73 g/mol.

What is Orb1699202 used for?

Known uses and roles of Orb1699202 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Orb1699202 hazardous?

No GHS hazard classification for Orb1699202 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 Orb1699202?

Orb1699202 is usually classified under HS code 292149 (Aromatic monoamines and their derivatives, salts thereof, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Orb1699202?

Post a free request on CompoundList and suppliers of Orb1699202 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Orb1699202?

Suppliers quote Orb1699202 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 Orb1699202

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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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