Home Nitriles Benzonitrile, 4-(1-aminoethyl)-

Benzonitrile, 4-(1-aminoethyl)-

CAS No.:
86225-78-7
Catalog Number:
AG00IDYQ
Molecular Formula:
C9H10N2
Molecular Weight:
146.1891
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG00IDYQ
Chemical Name:
Benzonitrile, 4-(1-aminoethyl)-
CAS Number:
86225-78-7
Molecular Formula:
C9H10N2
Molecular Weight:
146.1891
MDL Number:
MFCD09733813
IUPAC Name:
4-(1-aminoethyl)benzonitrile
InChI:
InChI=1S/C9H10N2/c1-7(11)9-4-2-8(6-10)3-5-9/h2-5,7H,11H2,1H3
InChI Key:
CANLULJYEHSQFU-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)C(N)C
Properties
Complexity:
160  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.084g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
146.193g/mol
Monoisotopic Mass:
146.084g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties