Home Halogens N-(2-chlorobenzyl)butan-1-amine

N-(2-chlorobenzyl)butan-1-amine

CAS No.:
16183-39-4
Catalog Number:
AG00AD41
Molecular Formula:
C11H16ClN
Molecular Weight:
197.7044
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG00AD41
Chemical Name:
N-(2-chlorobenzyl)butan-1-amine
CAS Number:
16183-39-4
Molecular Formula:
C11H16ClN
Molecular Weight:
197.7044
MDL Number:
MFCD07407515
IUPAC Name:
N-[(2-chlorophenyl)methyl]butan-1-amine
InChI:
InChI=1S/C11H16ClN/c1-2-3-8-13-9-10-6-4-5-7-11(10)12/h4-7,13H,2-3,8-9H2,1H3
InChI Key:
PUEUFOKKVOOXEW-UHFFFAOYSA-N
SMILES:
CCCCNCc1ccccc1Cl
Properties
Complexity:
127  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.097g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
197.706g/mol
Monoisotopic Mass:
197.097g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Literature
Title Journal
Benzylamines: synthesis and evaluation of antimycobacterial properties. Journal of medicinal chemistry 19840901
Properties