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628-87-5 | 2,2'-Azanediyldiacetonitrile
CAS No: 628-87-5 Catalog No: AG003QZP MDL No:MFCD00001887
Product Description
Catalog Number:
AG003QZP
Chemical Name:
2,2'-Azanediyldiacetonitrile
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 |
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