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Home Halogens Benzenemethanamine,N-butyl-2-chloro-, hydrochloride (1:1)

Benzenemethanamine,N-butyl-2-chloro-, hydrochloride (1:1)

CAS No.:
16183-40-7
Catalog Number:
AG007X8B
Molecular Formula:
C11H16ClN
Molecular Weight:
197.7044
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$96
- +
5g
95%
In Stock USA
United States
$216
- +
Product Description
Catalog Number:
AG007X8B
Chemical Name:
Benzenemethanamine,N-butyl-2-chloro-, hydrochloride (1:1)
CAS Number:
16183-40-7
Molecular Formula:
C11H16ClN
Molecular Weight:
197.7044
MDL Number:
MFCD07110012
IUPAC Name:
N-[(2-chlorophenyl)methyl]butan-1-amine;hydrochloride
InChI:
InChI=1S/C11H16ClN.ClH/c1-2-3-8-13-9-10-6-4-5-7-11(10)12;/h4-7,13H,2-3,8-9H2,1H3;1H
InChI Key:
YDTNCZAIYPCAOK-UHFFFAOYSA-N
SMILES:
CCCCc1cccc(c1Cl)CN
Properties
Complexity:
127  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.074g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
234.164g/mol
Monoisotopic Mass:
233.074g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
Benzylamines: synthesis and evaluation of antimycobacterial properties. Journal of medicinal chemistry 19840901
Properties