Name: Name:3-Phenylprop-2-yn-1-amine
Brand: Angene
SKU: AG00G8AU
Rating: 90 (10 reviews)

3-Phenylprop-2-yn-1-amine

CAS No.:

78168-74-8

Catalog Number:

AG00G8AU

Molecular Formula:

C9H9N

Molecular Weight:

131.1745

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Product Description

Catalog Number:

AG00G8AU

Chemical Name:

3-Phenylprop-2-yn-1-amine

CAS Number:

78168-74-8

Molecular Formula:

C9H9N

Molecular Weight:

131.1745

MDL Number:

MFCD06654553

IUPAC Name:

3-phenylprop-2-yn-1-amine

InChI:

InChI=1S/C9H9N/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,8,10H2

InChI Key:

DEHHYUARFKIUDI-UHFFFAOYSA-N

SMILES:

NCC#Cc1ccccc1

Properties

Complexity:

143

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

131.073g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

131.178g/mol

Monoisotopic Mass:

131.073g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

26A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.2

Literature

Title	Journal
An image-based, high-throughput screening assay for molecules that induce excess DNA replication in human cancer cells.	Molecular cancer research : MCR 20110301
A combined spectroscopic and ab initio investigation of phenylacetylene-methylamine complex. Observation of σ and π type hydrogen-bonded configurations and fluorescence quenching by weak C-H···N hydrogen bonding.	The journal of physical chemistry. A 20101028
Hydrogen-bonded complexes of phenylacetylene with water, methanol, ammonia, and methylamine. The origin of methyl group-induced hydrogen bond switching.	The journal of physical chemistry. A 20090618

Properties