200,000+ products from a single source!

sales@angenechem.com

Home > Amines > 692-98-8

692-98-8

692-98-8 | 3-(Isopropylamino);propanenitrile

CAS No: 692-98-8 Catalog No: AG006GGT MDL No:MFCD00053280

Product Description

Catalog Number:
AG006GGT
Chemical Name:
3-(Isopropylamino);propanenitrile
CAS Number:
692-98-8
Molecular Formula:
C6H12N2
Molecular Weight:
112.1729
MDL Number:
MFCD00053280
IUPAC Name:
3-(propan-2-ylamino)propanenitrile
InChI:
InChI=1S/C6H12N2/c1-6(2)8-5-3-4-7/h6,8H,3,5H2,1-2H3
InChI Key:
XBAXAJAODIQLCI-UHFFFAOYSA-N
SMILES:
CC(NCCC#N)C
NSC Number:
7771

Properties

Complexity:
87.9  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.1g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
112.176g/mol
Monoisotopic Mass:
112.1g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
35.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  

Literature

Title Journal
Structure-activity studies leading to ethambutol, a new type of antituberculous compound. Annals of the New York Academy of Sciences 19660420

© 2019 Angene International Limited. All rights Reserved.