2-Propanimine, N-chloro-
Basic information
- CAS
34508-68-4- Standard SMILES
CC(C)=NCl- InChIKey
OPJLHEYZZBXNBT-UHFFFAOYSA-N- Molecular formula
- C3H6ClN
- Average molar mass
- 91.54 g/mol
- Monoisotopic mass
- 91.0188769
Names & identifiers
- Preferred name
- 2-Propanimine, N-chloro-
- IUPAC
- N-chloropropan-2-imine
- English name
- N-chloropropan-2-imine
- Molecular formula
- C3H6ClN
- Molecular weight
- 91.54
Names & synonyms
2-Propanimine, N-chloro-34508-68-4DTXSID3073476RefChem:265536DTXCID2038865N-chloropropan-2-imineSCHEMBL10803171N-(Propan-2-ylidene)hypochlorous amideN-Chloro-2-propanimine2-Propanimine, N-chloro- (9CI)
Database identifiers
- CAS
34508-68-4- PubChem CID
- 93174
- DTXSID
DTXSID3073476- Nikkaji
- J260.359D
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 12.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 44.9
Physicochemical properties
- Boiling point
- 54 · 54-55 °C(Press: 100 Torr)
- Density
- 0.99 · 0.99±0.1 g/cm3(Predicted)
- pka
- 1.27 · 1.27±0.50(Predicted)
- EPA Substance Registry System
- 2 · 2-Propanimine, N-chloro- (34508-68-4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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