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23648-56-8 | Propanenitrile, 3-azido-
CAS No: 23648-56-8 Catalog No: AG002O12 MDL No:MFCD14652826
Product Description
Catalog Number:
AG002O12
Chemical Name:
Propanenitrile, 3-azido-
CAS Number:
23648-56-8
Molecular Formula:
C3H4N4
Molecular Weight:
96.0907
MDL Number:
MFCD14652826
IUPAC Name:
3-azidopropanenitrile
InChI:
InChI=1S/C3H4N4/c4-2-1-3-6-7-5/h1,3H2
InChI Key:
UGQVIHZUOANZQS-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=NCCC#N
Properties
Complexity:
123
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
96.044g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
96.093g/mol
Monoisotopic Mass:
96.044g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Literature
| Title | Journal |
|---|---|
| Study of doubly charged alkaline earth metal and 3-azidopropionitrile complexes by electrospray ionization mass spectrometry. | Rapid communications in mass spectrometry : RCM 20080101 |
| Complexation of transition metals by 3-azidopropionitrile. An electrospray ionization mass spectrometry study. | Journal of the American Society for Mass Spectrometry 20070301 |
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