AG002B45

197844-23-8 | Benzenemethanamine, 4-ethynyl-

AG002B45

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CAS Number	197844-23-8
Catalog Number	AG002B45(AGN-PC-00U4JX)
Chemical Name	Benzenemethanamine, 4-ethynyl-
IUPAC Name	(4-ethynylphenyl)methanamine
InChI	InChI=1S/C9H9N/c1-2-8-3-5-9(7-10)6-4-8/h1,3-6H,7,10H2
InChI Key	JQYMHUXNIQEVSX-UHFFFAOYSA-N
MDL Number	MFCD10698133
Molecular Formula	C9H9N
Molecular Weight	131.1745
SMILES	NCC1=CC=C(C#C)C=C1
Synonyms	(4-Ethynylphenyl)methanamine, 197844-23-8, Benzenemethanamine, 4-ethynyl-, 4-Ethynylbenzylamine, SCHEMBL7761387, KS-00000PNG, 0181AB, ANW-63536, MFCD10698133, ZINC35323262, AKOS006302958, DS-2427, AJ-91289, AK-80240, ST2402425, TC-152281, 4CH-018471, C9H9N, Benzenemethanamine, 4-ethynyl- (9CI),

Complexity	134
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	131.073g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	131.178g/mol
Monoisotopic Mass	131.073g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	26A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅱ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 2735

Certificate of Analysis

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