Home Nitriles Propanenitrile, 3-[(3-methylphenyl)amino]-

Propanenitrile, 3-[(3-methylphenyl)amino]-

CAS No.:
27618-25-3
Catalog Number:
AG002U8Z
Molecular Formula:
C10H12N2
Molecular Weight:
160.2157
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Product Description
Catalog Number:
AG002U8Z
Chemical Name:
Propanenitrile, 3-[(3-methylphenyl)amino]-
CAS Number:
27618-25-3
Molecular Formula:
C10H12N2
Molecular Weight:
160.2157
MDL Number:
MFCD00129125
IUPAC Name:
3-(3-methylanilino)propanenitrile
InChI:
InChI=1S/C10H12N2/c1-9-4-2-5-10(8-9)12-7-3-6-11/h2,4-5,8,12H,3,7H2,1H3
InChI Key:
VUUHXRVVDUAGOL-UHFFFAOYSA-N
SMILES:
N#CCCNc1cccc(c1)C
EC Number:
248-574-3
Properties
Complexity:
168  
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:
3  
Topological Polar Surface Area:
35.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties