Home Nitriles 3-Methylaminopropionitrile

3-Methylaminopropionitrile

CAS No.:
693-05-0
Catalog Number:
AG0033RA
Molecular Formula:
C4H8N2
Molecular Weight:
84.1197
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
96%
In Stock USA
United States
$13
- +
25g
96%
In Stock USA
United States
$32
- +
100g
96%
In Stock USA
United States
$82
- +
500g
96%
In Stock USA
United States
$325
- +
Product Description
Catalog Number:
AG0033RA
Chemical Name:
3-Methylaminopropionitrile
CAS Number:
693-05-0
Molecular Formula:
C4H8N2
Molecular Weight:
84.1197
MDL Number:
MFCD00001954
IUPAC Name:
3-(methylamino)propanenitrile
InChI:
InChI=1S/C4H8N2/c1-6-4-2-3-5/h6H,2,4H2,1H3
InChI Key:
UNIJBMUBHBAUET-UHFFFAOYSA-N
SMILES:
CNCCC#N
EC Number:
211-740-0
NSC Number:
8399
Properties
Complexity:
59.2  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
84.069g/mol
Formal Charge:
0
Heavy Atom Count:
6  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
84.122g/mol
Monoisotopic Mass:
84.069g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
35.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5  
Literature
Title Journal
New insights into the design of inhibitors of human S-adenosylmethionine decarboxylase: studies of adenine C8 substitution in structural analogues of S-adenosylmethionine. Journal of medicinal chemistry 20090312
Properties