Isovaleronitrile
CAS Registry Number®
625-28-5
CAS Name
IsovaleronitrileMolecular Formula
C5H9NMolecular Mass
83.13Cite this Page
Isovaleronitrile. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=625-28-5 (retrieved ) (CAS RN: 625-28-5). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Boiling Point (1)
56-58 °C @ Press: 16 TorrMelting Point (2)
-101 °CDensity (3)
0.7951 g/cm³ @ Temp: 20 °C
Source(s)
- (1) Alaux, Sebastien; Journal of Medicinal Chemistry, (2005), 48(25), 7980-7992, CAplus
- (2) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)
- (3) Khershkovich, N.; Nauch.-Tekh. Konf., Moskov. Neftekhim. i Gaz. Prom. Inst., 11-ya [Odinnadtsataya] i 12-ya [Dvenadtsataya], (1958), 240-4, CAplus
Other Names and Identifiers
InChI
InChI=1S/C5H9N/c1-5(2)3-4-6/h5H,3H2,1-2H3
InChIKey
InChIKey=QHDRKFYEGYYIIK-UHFFFAOYSA-N
SMILES
C(C(C)C)C#N
Canonical SMILES
N#CCC(C)C
Other Names for this Substance
- Butanenitrile, 3-methyl-
- Isovaleronitrile
- 3-Methylbutanenitrile
- 3-Methylbutyronitrile
- Isopentane nitrile
