Home Nitriles 5-Amino-2-(pyrrolidin-1-yl)benzonitrile

5-Amino-2-(pyrrolidin-1-yl)benzonitrile

CAS No.:
219921-68-3
Catalog Number:
AG00C21S
Molecular Formula:
C11H13N3
Molecular Weight:
187.2410
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$129
- +
5g
95%
In Stock USA
United States
$316
- +
Product Description
Catalog Number:
AG00C21S
Chemical Name:
5-Amino-2-(pyrrolidin-1-yl)benzonitrile
CAS Number:
219921-68-3
Molecular Formula:
C11H13N3
Molecular Weight:
187.2410
MDL Number:
MFCD09864592
IUPAC Name:
5-amino-2-pyrrolidin-1-ylbenzonitrile
InChI:
InChI=1S/C11H13N3/c12-8-9-7-10(13)3-4-11(9)14-5-1-2-6-14/h3-4,7H,1-2,5-6,13H2
InChI Key:
FVSSHGNFKHGMDK-UHFFFAOYSA-N
SMILES:
N#Cc1cc(N)ccc1N1CCCC1
Properties
Complexity:
236  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.111g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
187.246g/mol
Monoisotopic Mass:
187.111g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
53A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties