Home Nitriles 3-p-Tolylamino-propionitrile

3-p-Tolylamino-propionitrile

CAS No.:
1077-24-3
Catalog Number:
AG0084AV
Molecular Formula:
C10H12N2
Molecular Weight:
160.2157
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Product Description
Catalog Number:
AG0084AV
Chemical Name:
3-p-Tolylamino-propionitrile
CAS Number:
1077-24-3
Molecular Formula:
C10H12N2
Molecular Weight:
160.2157
MDL Number:
MFCD00033183
IUPAC Name:
3-(4-methylanilino)propanenitrile
InChI:
InChI=1S/C10H12N2/c1-9-3-5-10(6-4-9)12-8-2-7-11/h3-6,12H,2,8H2,1H3
InChI Key:
MKXMURBQSSTNIT-UHFFFAOYSA-N
SMILES:
N#CCCNc1ccc(cc1)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:
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  
Properties