Home Nitriles 3-Aminomethyl-benzonitrile hydrochloride

3-Aminomethyl-benzonitrile hydrochloride

CAS No.:
40896-74-0
Catalog Number:
AG00BZC9
Molecular Formula:
C8H9ClN2
Molecular Weight:
168.6235
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:
AG00BZC9
Chemical Name:
3-Aminomethyl-benzonitrile hydrochloride
CAS Number:
40896-74-0
Molecular Formula:
C8H9ClN2
Molecular Weight:
168.6235
MDL Number:
MFCD06797955
IUPAC Name:
3-(aminomethyl)benzonitrile;hydrochloride
InChI:
InChI=1S/C8H8N2.ClH/c9-5-7-2-1-3-8(4-7)6-10;/h1-4H,5,9H2;1H
InChI Key:
BQWSRNKFRAPUAH-UHFFFAOYSA-N
SMILES:
NCc1cccc(c1)C#N.Cl
Properties
Complexity:
145  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.045g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
168.624g/mol
Monoisotopic Mass:
168.045g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
49.8A^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