3-chloro-N-prop-2-enylbut-2-en-1-amine
Basic information
- CAS
683769-64-4- Standard SMILES
C=CCNCC=C(C)Cl- InChIKey
IDSFSVHTUSYKTJ-UHFFFAOYSA-N- Molecular formula
- C7H12ClN
- Average molar mass
- 145.63 g/mol
- Monoisotopic mass
- 145.0658271
Names & identifiers
- Preferred name
- 3-chloro-N-prop-2-enylbut-2-en-1-amine
- IUPAC
- 3-chloro-N-prop-2-enylbut-2-en-1-amine
- English name
- CHEMBRDG-BB 7357783
- Molecular formula
- C7H12ClN
- Molecular weight
- 145.63
Names & synonyms
N-Allyl-3-chlorobut-2-en-1-amine3-chloro-N-prop-2-enylbut-2-en-1-amineDTXSID803960143-Chloro-N-(prop-2-en-1-yl)but-2-en-1-amineCHEMBRDG-BB 7357783(2Z)-N-ALLYL-3-CHLOROBUT-2-EN-1-AMINE2-Buten-1-amine, 3-chloro-N-2-propen-1-yl-(2Z)-N-allyl-3-chlorobut-2-en-1-amine(SALTDATA: HCl)
Database identifiers
- CAS
683769-64-4- PubChem CID
- 3757935
- DTXSID
DTXSID80396014
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 107
Physicochemical properties
- Boiling point
- 195.5 · 195.5±28.0 °C(Predicted)
- Density
- 0.953 · 0.953±0.06 g/cm3(Predicted)
- pka
- 8.11 · 8.11±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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