Home Nitriles Propanenitrile,3-[(2,5-dimethylphenyl)amino]-

Propanenitrile,3-[(2,5-dimethylphenyl)amino]-

CAS No.:
36072-16-9
Catalog Number:
AG007BMD
Molecular Formula:
C11H14N2
Molecular Weight:
174.2423
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Product Description
Catalog Number:
AG007BMD
Chemical Name:
Propanenitrile,3-[(2,5-dimethylphenyl)amino]-
CAS Number:
36072-16-9
Molecular Formula:
C11H14N2
Molecular Weight:
174.2423
MDL Number:
MFCD04633431
IUPAC Name:
3-(2,5-dimethylanilino)propanenitrile
InChI:
InChI=1S/C11H14N2/c1-9-4-5-10(2)11(8-9)13-7-3-6-12/h4-5,8,13H,3,7H2,1-2H3
InChI Key:
PNMWBFBRYBSXJY-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1NCCC#N)C
Properties
Complexity:
192  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.116g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
174.247g/mol
Monoisotopic Mass:
174.116g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
35.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
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