AG003SZS

90389-85-8 | N-(3-Fluorobenzyl)ethanamine

AG003SZS

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CAS Number	90389-85-8
Catalog Number	AG003SZS(AGN-PC-0JRG7U)
Chemical Name	N-(3-Fluorobenzyl)ethanamine
IUPAC Name	N-[(3-fluorophenyl)methyl]ethanamine
InChI	InChI=1S/C9H12FN/c1-2-11-7-8-4-3-5-9(10)6-8/h3-6,11H,2,7H2,1H3
InChI Key	QAPAPLIQQTVEJZ-UHFFFAOYSA-N
MDL Number	MFCD06797099
Molecular Formula	C9H12FN
Molecular Weight	153.1967
SMILES	CCNCC1=CC=CC(F)=C1
Synonyms	90389-85-8, N-Ethyl-3-fluorobenzylamine, N-(3-fluorobenzyl)ethanamine, Benzenemethanamine, N-ethyl-3-fluoro-, Ethyl-(3-fluoro-benzyl)-amine, N-[(3-fluorophenyl)methyl]ethanamine, AC1L9WUY, ACMC-209r5y, ethyl (3-fluorobenzyl)amine, AC1Q31L0, SCHEMBL2720282, CHEMBL1178122, CTK5G7747, DTXSID10238115, HMS1780B18, KS-000009MN, ZINC4205826, ANW-39476, MFCD06655514, AKOS000201380, AC-2713, TRA0086622, AJ-48804, AK-78771, AM101544, AN-13665, DS-17502, SY002642, ST2402008, TC-128221, 4CH-019664, FT-0695141, V8908, EN300-12811, Z-3326, MFCD06655514 (97+%), I01-10503, Benzylamine der, C9H12FN, N-[ METHYL]ETHANAMINE, AIDS011077, CID457578,

Complexity	106
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	153.095g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	153.2g/mol
Monoisotopic Mass	153.095g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	12A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H315-H319
Packing Group	Ⅲ
Precautionary statements	P305+P351+P338
UN Code	UN 2735

Certificate of Analysis

Lot Number