AG01C5BO

93071-79-5 | 3-EthylbenzylAmine

AG01C5BO

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CAS Number	93071-79-5
Catalog Number	AG01C5BO(AGN-PC-0099Z2)
Chemical Name	3-EthylbenzylAmine
IUPAC Name	(3-ethylphenyl)methanamine
InChI	InChI=1S/C9H13N/c1-2-8-4-3-5-9(6-8)7-10/h3-6H,2,7,10H2,1H3
InChI Key	BEBFJOSPYYGOKL-UHFFFAOYSA-N
MDL Number	MFCD06213266
Molecular Formula	C9H13N
Molecular Weight	135.2062
SMILES	C(C)C=1C=C(C=CC1)CN
Synonyms	(3-ethylphenyl)methanamine, 93071-79-5, Benzenemethanamine, 3-ethyl-, m-ethyl benzylamine, 3-Ethylbenzyl Amine, [(3-ethylphenyl)methyl]amine, SCHEMBL284046, BEBFJOSPYYGOKL-UHFFFAOYSA-N, ZINC44249415, AKOS006294789, SC-36681, FT-0743008, Benzenemethanamine,3-ethyl-, CID11446358,

Complexity	90.7
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	135.105g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	135.21g/mol
Monoisotopic Mass	135.105g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	26A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H302-H314
Packing Group	Ⅲ
Precautionary statements	P261-P280-P305+P351+P338-P310
UN Code	UN 2735

Certificate of Analysis

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