Home Nitriles 4-[(cyclopropylmethyl)amino]benzonitrile

4-[(cyclopropylmethyl)amino]benzonitrile

CAS No.:
1019607-58-9
Catalog Number:
AG01AXKM
Molecular Formula:
C11H12N2
Molecular Weight:
172.2264
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Product Description
Catalog Number:
AG01AXKM
Chemical Name:
4-[(cyclopropylmethyl)amino]benzonitrile
CAS Number:
1019607-58-9
Molecular Formula:
C11H12N2
Molecular Weight:
172.2264
MDL Number:
MFCD11135508
IUPAC Name:
4-(cyclopropylmethylamino)benzonitrile
InChI:
InChI=1S/C11H12N2/c12-7-9-3-5-11(6-4-9)13-8-10-1-2-10/h3-6,10,13H,1-2,8H2
InChI Key:
JIJRTGAJBVRNBE-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)NCC1CC1
Properties
Complexity:
203  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.1g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
172.231g/mol
Monoisotopic Mass:
172.1g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
35.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties