AG003SZQ

90389-91-6 | N-(3-bromobenzyl)ethanamine

AG003SZQ

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CAS Number	90389-91-6
Catalog Number	AG003SZQ(AGN-PC-0JRG85)
Chemical Name	N-(3-bromobenzyl)ethanamine
IUPAC Name	N-[(3-bromophenyl)methyl]ethanamine
InChI	InChI=1S/C9H12BrN/c1-2-11-7-8-4-3-5-9(10)6-8/h3-6,11H,2,7H2,1H3
InChI Key	ZKUHSZJORZCOFE-UHFFFAOYSA-N
MDL Number	MFCD07405019
Molecular Formula	C9H12BrN
Molecular Weight	214.1023
SMILES	CCNCC1=CC=CC(Br)=C1
Synonyms	N-Ethyl-3-bromobenzylamine, 90389-91-6, N-(3-Bromobenzyl)ethanamine, Benzenemethanamine, 3-bromo-N-ethyl-, N-[(3-bromophenyl)methyl]ethanamine, ethyl-(3-bromo-benzyl)-amine, AC1L9WVV, (3-bromobenzyl)-ethyl-amine, SCHEMBL8583518, CHEMBL1183033, 3-bromo-n-ethylbenzenemethanamine, CTK5G7753, DTXSID20238121, ZKUHSZJORZCOFE-UHFFFAOYSA-N, ZINC6385340, [(3-bromophenyl)methyl](ethyl)amine, 7269AJ, KM2913, MFCD07405019, AKOS000154627, AC-2680, MCULE-6286118772, TRA0086253, KS-000009N6, (3-bromobenzyl)ethylamine(saltdata: hcl), 3-BROMO-N-ETHYL-BENZENEMETHANAMINE, AJ-56132, AK-78763, AN-13703, AS-31190, SY002525, TC-308700, MFCD07405019 (97+%), I01-10504, Benzylamine der, (3-bromobenzyl)ethylamine, C9H12BrN, AIDS011090, CID457589, 2991-28-8,

Complexity	106
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	213.015g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	214.106g/mol
Monoisotopic Mass	213.015g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	12A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301
Packing Group	Ⅲ
Precautionary statements	P301+P310
UN Code	UN 2810

Certificate of Analysis

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