N-(3-Phenyl-2-propyn-1-yl)-2-propen-1-amine x1hcl

CAS

98729-78-3

Catalog Number

ACM98729783

Category

Other Products

Molecular Weight

171.238320 [g/mol]

Molecular Formula

C12H13N

MSDS COA Spec Sheet

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Specification

Synonyms

STK513141, AC1NG3A3, CTK5I0041, MolPort-000-863-274, AKOS000284662, AG-I-00270, MCULE-9615034878, 3-phenyl-N-prop-2-enylprop-2-yn-1-amine, N-(3-phenylprop-2-yn-1-yl)prop-2-en-1-amine, N-(3-PHENYL-2-PROPYN-1-YL)-2-PROPEN-1-AMINE, 98729-78-3

IUPAC Name

3-phenyl-N-prop-2-enylprop-2-yn-1-amine

Canonical SMILES

C=CCNCC#CC1=CC=CC=C1

InChI Key

KPEAJUQUCTYDHB-UHFFFAOYSA-N

Boiling Point

271.3ºC at 760 mmHg

Flash Point

119.4ºC

Density

0.97g/cm³

Exact Mass

171.10500

H-Bond Acceptor

H-Bond Donor

What is the structure of the compound with PubChem CID 4717971?

The structure of the compound is not provided in the reference.

What is the molecular formula of the compound?

The molecular formula of the compound is C12H13N.

What are the synonyms of the compound?

The synonyms of the compound are 98729-78-3, N-(3-PHENYL-2-PROPYN-1-YL)-2-PROPEN-1-AMINE, N-(3-phenylprop-2-yn-1-yl)prop-2-en-1-amine, (3-phenylprop-2-yn-1-yl)(prop-2-en-1-yl)amine, and STK513141.

What is the molecular weight of the compound?

The molecular weight of the compound is 171.24 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is 3-phenyl-N-prop-2-enylprop-2-yn-1-amine.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C12H13N/c1-2-10-13-11-6-9-12-7-4-3-5-8-12/h2-5,7-8,13H,1,10-11H2.

What is the InChIKey of the compound?

The InChIKey of the compound is KPEAJUQUCTYDHB-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is C=CCNCC#CC1=CC=CC=C1.

What is the CAS number of the compound?

The CAS number of the compound is 98729-78-3.