Home Amines 102236-18-0
102236-18-0,MFCD07106854
Catalog No.:AA0006XH
102236-18-0 | Benzenemethanamine, 4-chloro-N-ethyl-, hydrochloride (1:1)
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Technical Information
Catalog Number:
AA0006XH
Chemical Name:
Benzenemethanamine, 4-chloro-N-ethyl-, hydrochloride (1:1)
CAS Number:
102236-18-0
Molecular Formula:
C9H13Cl2N
Molecular Weight:
206.1122
MDL Number:
MFCD07106854
IUPAC Name:
N-[(4-chlorophenyl)methyl]ethanamine;hydrochloride
InChI:
InChI=1S/C9H12ClN.ClH/c1-2-11-7-8-3-5-9(10)6-4-8;/h3-6,11H,2,7H2,1H3;1H
InChI Key:
MXQGTQFOWKTKSP-UHFFFAOYSA-N
SMILES:
CCNCc1ccc(cc1)Cl.Cl
Properties
Computed Properties
 
Complexity:
97.7  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.043g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
206.11g/mol
Monoisotopic Mass:
205.043g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Synonyms
 
N-(4-chlorobenzyl)ethanamine hydrochloride 
102236-18-0 
ZX-AS003722 
ZX-CM005517 
7613AC 
MFCD07106854 
SBB080066 
AKOS005110966 
AK160215 
AX8293399 
BB0290024 
ST24048392 
(4-Chloro-benzyl)-ethyl-amine hydrochloride 
ST45049816 
[(4-chlorophenyl)methyl](ethyl)amine hydrochloride 
Benzenemethanamine, 4-chloro-N-ethyl-, hydrochloride (1:1) 
N-[(4-Chlorophenyl)methyl]ethanamine--hydrogen chloride (1/1) 
C9H13Cl2N 
N-(4-CHLOROBENZYL)-1-ETHANAMINE HYDROCHLORIDE 
[(4-chlorophenyl)methyl]ethylamine, chloride 
ARONIS013106 
CTK6F2368 
BBB/490 
DTXSID50586389 
KS-000043US 
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