4-Bromo-alpha-methylbenzylamine, 4-Bromo-alpha-methylbenzylamine buy,4-Bromo-alpha-methylbenzylamine suppliers, 4-Bromo-alpha-methylbenzylamine price CAS NO.24358-62-1

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1. Introduction of 4-Bromo-alpha-phenethylamine

The 4-Bromo-alpha-phenethylamine, with its CAS NO 24358-62-1, is a kind of powder. It has synonyms of Benzylamine,p-bromo-a-methyl- (7CI,8CI);(4-Bromo-a-methylbenzyl)amine;(RS)-1-(p-Bromophenyl)ethylamine;1-(4-Bromophenyl)ethylamine;1-(4'-Bromophenyl)ethylamine;1-(p-Bromophenyl)ethylamine;4-(1-Aminoethyl)-1-bromobenzene;4-Bromo-1-(1-aminoethyl)benzene a-(p-Bromophenyl)ethylamine.
 

2. Properties of 4-Bromo-alpha-phenethylamine

(1) XLogP3-AA 1.9  (2) H-Bond Don1  (3) H-Bond Accept1
(4) Rotatable Bond Count 1 (5) Exact Mass 198.999661 (6) MonoIsotopic Mass 198.999661
(7) Topological Polar Surface Area 26  (8) Heavy Atom Count 10 (9) Complexity 97.4 
(10) Undefined Atom Stereocenter Count 1  (11) Covalently-Bonded Unit Count 1
(12) Feature 3D DonCount 1  (13) Feature 3D Cation Count 1 (14) Feature 3D Hydrophobe Count 1
(15) Feature 3D Ring Count 1 (16) Effective RotCount 1 (17) Conformer Sampling RMSD 0.4
(18) CID Conformer Count 2

3. Structure descriptors of 4-Bromo-alpha-phenethylamine

IUPAC Name: 1-(4-bromophenyl)ethanamine

InChI: InChI=1S/C8H10BrN/c1-6(10)7-2-4-8(9)5-3-7/h2-6H,10H2,1H3

InChIKey: SOZMSEPDYJGBEK-UHFFFAOYSA-N

Canonical SMILES : CC(C1=CC=C(C=C1)Br)N