AG00G7WM

850012-44-1 | 4-Bromo-2-tert-butylphenylamine

AG00G7WM

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CAS Number	850012-44-1
Catalog Number	AG00G7WM(AGN-PC-00IRUR)
Chemical Name	4-Bromo-2-tert-butylphenylamine
IUPAC Name	4-bromo-2-tert-butylaniline
InChI	InChI=1S/C10H14BrN/c1-10(2,3)8-6-7(11)4-5-9(8)12/h4-6H,12H2,1-3H3
InChI Key	MRHVSOBPZBXNEB-UHFFFAOYSA-N
MDL Number	MFCD09965991
Molecular Formula	C10H14BrN
Molecular Weight	228.1289
SMILES	NC1=CC=C(Br)C=C1C(C)(C)C
Synonyms	850012-44-1, 4-Bromo-2-(tert-butyl)aniline, 4-Bromo-2-tert-butylaniline, 4-bromo-2-tert-butylphenylamine, 4-Bromo-2-(1,1-dimethylethyl)aniline, AE-562/43287072, 4-Bromo-2-(t-butyl)aniline, SCHEMBL381761, 4-bromo-2-tert-butylbenzenamine, CTK5I6651, 4-bromo-2-tert-butyl-phenylamine, MRHVSOBPZBXNEB-UHFFFAOYSA-N, 2-(tert-butyl)-4-bromophenylamine, MFCD09965991, SBB097247, ZINC19801588, LS11813, 4-Bromo-2-(1,1-dimethylethyl)benzenamine, A1-11022, 4-bromo-(2-tert-butyl)aniline, CID11959000,

Complexity	150
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	227.031g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	228.133g/mol
Monoisotopic Mass	227.031g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	26A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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