Home Nitriles 3-[(propan-2-yl)amino]benzonitrile

3-[(propan-2-yl)amino]benzonitrile

CAS No.:
1019543-98-6
Catalog Number:
AG01A8NH
Molecular Formula:
C10H12N2
Molecular Weight:
160.2157
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Product Description
Catalog Number:
AG01A8NH
Chemical Name:
3-[(propan-2-yl)amino]benzonitrile
CAS Number:
1019543-98-6
Molecular Formula:
C10H12N2
Molecular Weight:
160.2157
MDL Number:
MFCD11144762
IUPAC Name:
3-(propan-2-ylamino)benzonitrile
InChI:
InChI=1S/C10H12N2/c1-8(2)12-10-5-3-4-9(6-10)7-11/h3-6,8,12H,1-2H3
InChI Key:
SSHDQOKWUBCYJF-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)NC(C)C
Properties
Complexity:
178  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.1g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
160.22g/mol
Monoisotopic Mass:
160.1g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
35.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties