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N-benzyl-N-[(5-bromo-1-benzothiophen-3-yl)methyl]-2-chloroethanamine,hydrochloride

N-benzyl-N-[(5-bromo-1-benzothiophen-3-yl)methyl]-2-chloroethanamine,hydrochloride structure

CAS No:
16584-11-5
Formula:
C18H18BrCl2NS
Chemical Name:
N-benzyl-N-[(5-bromo-1-benzothiophen-3-yl)methyl]-2-chloroethanamine,hydrochloride
Synonyms:
Benzo(b)thiophene-3-methanamine,5-bromo-N-(2-chloroethyl)-N-(phenylmethyl)-,hydrochloride; Benzo(b)thiophene-3-methylamine,N-benzyl-5-bromo-N-(2-chloroethyl)-,hydrochloride; N-benzyl-N-[(5-bromo-1-benzothiophen-3-yl)methyl]-2-chloroethanamine hydrochloride (1:1); N-Benzyl-5-bromo-N-(2-chloroethyl)benzo(b)thiophene-3-methylamine hydrochloride; N-benzyl-N-[(5-bromo-1-benzothiophen-3-yl)methyl]-2-chloroethanamine hydrochloride;

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N-benzyl-N-[(5-bromo-1-benzothiophen-3-yl)methyl]-2-chloroethanamine,hydrochloride Basic Attributes

Molecular Weight：

431.21700

Exact Mass：

428.97204 g/mol

DSSTox ID：

DTXSID40168037

Characteristics

PSA：

31.48000

XLogP3：

6.70680

Boiling Point：

447.6ºC

Flash Point：

224.5ºC

Vapor Pressure：

3.33E-08mmHg at 25°C

Computed Properties

Molecular Weight:431.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:428.97204
Monoisotopic Mass:428.97204
Topological Polar Surface Area:31.5
Heavy Atom Count:23
Complexity:337
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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Guide of N-benzyl-N-[(5-bromo-1-benzothiophen-3-yl)methyl]-2-chloroethanamine,hydrochloride

Basic Attributes
Characteristics
Computed Properties

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