Benzylprop-2-ynylamine

CAT: 0024-sc-326278Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-326278Size:500 mg

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CAS Number

1197-51-9

Chemical Information

N-2-Propyn-1-ylbenzenemethanamine

major metabolite of pargyline

CAS Number	1197-51-9
PubChem CID	99277
IUPAC Name	N-benzylprop-2-yn-1-amine
Molecular Formula	C10H11N
Molecular Weight	145.20
XLogP	1.6
Topological Polar Surface Area	12
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Heavy Atom Count	11
Formal Charge	0
Complexity	136

SMILES

C#CCNCC1=CC=CC=C1

InChI

InChI=1S/C10H11N/c1-2-8-11-9-10-6-4-3-5-7-10/h1,3-7,11H,8-9H2

InChIKey

LDYBFSGEBHSTOQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1197-51-9

CID: 99277

Formula: C10H11N

MW: 145.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	145.20
XLogP3	1.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	145.089149355
Monoisotopic Mass	145.089149355
Topological Polar Surface Area	12 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	136
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-326514	Butylprop-2-ynylamine
sc-326277	Benzylbut-2-ynylamine
sc-282168A	1-Methyl-prop-2-ynylamine hydrochloride
sc-282168	1-Methyl-prop-2-ynylamine hydrochloride
sc-481481	[3- (Prop-2-ynylamine-1-carbonyl) phenyl]boronic acid pinacol ester
sc-346274A	3-amino-2-benzylpropan-1-ol
sc-346274	3-amino-2-benzylpropan-1-ol
sc-348735	4-[ (prop-2-ynylamino) sulfonyl]benzoic acid
sc-345839A	3-[ (prop-2-ynylamino) sulfonyl]benzoic acid
sc-348735A	4-[ (prop-2-ynylamino) sulfonyl]benzoic acid

Catalog	Name
MDA60511-01	N-Benzylprop-2-ynamide
abx182626-01	Prop-2-ynylamine
LEA75862	(2-naphthylsulfonyl) prop-2-ynylamine
OR97536-01	Hept-6-ynylamine
OR961761-01	1-Methyl-prop-2-ynylamine
OR906976-01	N-Benzylprop-2-en-1-amine
RG-E140978-01	N-benzylprop-2-yn-1-amine
SBA10526-01	1-Methyl-prop-2-ynylamine hydrochloride
WCA68775	N- (2-bromophenyl) -3-phenyl-N-benzylprop-2-enamide
TRC-M340920-100MG	(R)-1-Methyl-prop-2-ynylamine Hydrochloride