AG0008LE

113439-90-0 | 2-Pentyn-1-amine, 4,4-dimethyl-

AG0008LE

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CAS Number	113439-90-0
Catalog Number	AG0008LE(AGN-PC-0AM23J)
Chemical Name	2-Pentyn-1-amine, 4,4-dimethyl-
IUPAC Name	4,4-dimethylpent-2-yn-1-amine
InChI	InChI=1S/C7H13N/c1-7(2,3)5-4-6-8/h6,8H2,1-3H3
InChI Key	KZIPPJINJOKJRI-UHFFFAOYSA-N
MDL Number	MFCD19204088
Molecular Formula	C7H13N
Molecular Weight	111.1848
SMILES	CC(C)(C)C#CCN
Synonyms	4,4-Dimethyl-2-pentyn-1-amine, 113439-90-0, 4,4-Dimethylpent-2-yn-1-amine, 2-Pentyn-1-amine, 4,4-dimethyl-, SCHEMBL2941366, KS-000009JH, 6027AJ, MFCD19204088, ZINC95725455, AKOS006338908, TRA0039596, AS-32064, SY023792, AJ-133707, MFCD19204088 (95%), Z-3457, C7H13N, 691904-77-5,

Complexity	116
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	111.105g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	111.188g/mol
Monoisotopic Mass	111.105g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	26A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3(8)
Hazard statements	H226-H314
Packing Group	Ⅲ
Precautionary statements	P210-P280-P305+P351+P338-P310
UN Code	UN 2924

Certificate of Analysis

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