AG003SZV

856795-95-4 | [(4-bromophenyl)methyl](ethyl)amine

AG003SZV

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CAS Number	856795-95-4
Catalog Number	AG003SZV(AGN-PC-0LG00V)
Chemical Name	[(4-bromophenyl)methyl](ethyl)amine
IUPAC Name	N-[(4-bromophenyl)methyl]ethanamine
InChI	InChI=1S/C9H12BrN/c1-2-11-7-8-3-5-9(10)6-4-8/h3-6,11H,2,7H2,1H3
InChI Key	RVGAYUIZZCACIV-UHFFFAOYSA-N
MDL Number	MFCD00003277
Molecular Formula	C9H12BrN
Molecular Weight	214.1023
SMILES	CCNCC1=CC=C(Br)C=C1
Synonyms	N-ETHYL-4-BROMOBENZYLAMINE, 856795-95-4, N-(4-bromobenzyl)ethanamine, 4-bromo-N-ethylbenzenemethanamine, N-[(4-bromophenyl)methyl]ethanamine, AC1NFZVC, SCHEMBL2552412, CTK5F5487, N-(4-bromobenzyl)-N-ethylamine, DTXSID00405874, RVGAYUIZZCACIV-UHFFFAOYSA-N, KS-000009MJ, ZINC8227273, [(4-bromophenyl)methyl](ethyl)amine, 7273AJ, KM2340, MFCD07404997, STK510872, AKOS000148296, MCULE-2528839576, TRA0009086, AJ-57376, AK-79999, AS-31579, SY002622, DB-018589, TC-308705, FT-0746564, ST24048380, MFCD07404997 (97+%), AN-465/42245892, I01-10496, C9H12BrN, CID4716477, 14199-15-6,

Complexity	97.7
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	2.3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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