sales@angenesci.com
Login | Register
logo
Structures Search
Home Nitriles Iminodiacetonitrile

Iminodiacetonitrile

CAS No.:
628-87-5
Catalog Number:
AG003QZP
Molecular Formula:
C4H5N3
Molecular Weight:
95.1026
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$13
- +
5g
95%
In Stock USA
United States
$19
- +
25g
95%
In Stock USA
United States
$50
- +
100g
95%
In Stock USA
United States
$100
- +
Product Description
Catalog Number:
AG003QZP
Chemical Name:
Iminodiacetonitrile
CAS Number:
628-87-5
Molecular Formula:
C4H5N3
Molecular Weight:
95.1026
MDL Number:
MFCD00001887
IUPAC Name:
2-(cyanomethylamino)acetonitrile
InChI:
InChI=1S/C4H5N3/c5-1-3-7-4-2-6/h7H,3-4H2
InChI Key:
BSRDNMMLQYNQQD-UHFFFAOYSA-N
SMILES:
N#CCNCC#N
EC Number:
211-058-3
UNII:
RID64Y718A
NSC Number:
263496
Properties
Complexity:
104  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
95.048g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
95.105g/mol
Monoisotopic Mass:
95.048g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6  
Literature
Title Journal
Biosynthesis of iminodiacetic acid from iminodiacetonitrile by immobilized recombinant Escherichia coli harboring nitrilase. Journal of molecular microbiology and biotechnology 20120101
A novel synthesis of iminodiacetic acid: biocatalysis by whole Alcaligenes faecalis ZJB-09133 cells from iminodiacetonitrile. Biotechnology progress 20110101
N,N-Bis(cyano-meth-yl)nitrous amide. Acta crystallographica. Section E, Structure reports online 20100601
Properties