Basic information
- CAS
69462-43-7- Standard SMILES
CC1CCCCN1C(=O)C1CC=CCC1- InChIKey
KRHYGGFLEBNTHQ-UHFFFAOYSA-N- Molecular formula
- C13H21NO
- Average molar mass
- 207.31 g/mol
- Monoisotopic mass
- 207.16231429
Names & identifiers
- Preferred name
- AI 3-37220
- IUPAC
- cyclohex-3-en-1-yl-(2-methylpiperidin-1-yl)methanone
- English name
- 1-(3-cyclohexen-1-ylcarbonyl)-2-methylpiperidine
- Molecular formula
- C13H21NO
- Molecular weight
- 207.31
Names & synonyms
69462-43-71-(3-Cyclohexen-1-ylcarbonyl)-2-methylpiperidineAI3-372201-[3-cyclohexen-1-ylcarbonyl]-2-methylpiperidineRefChem:915303AI 3-37220Cyclohex-3-en-1-yl(2-methylpiperidin-1-yl)methanonecyclohex-3-en-1-yl-(2-methylpiperidin-1-yl)methanoneAI3 372203-cyclohexen-1-yl(2-methyl-1-piperidinyl)methanonePiperidine, 1-(3-cyclohexen-1-ylcarbonyl)-2-methyl-SCHEMBL2374415
Show more names
SS-220Icyclohex-3-enyl(2-Methylpiperidin-1-yl)Methanone
DTXSID10989372AKOS015915065DB-342524(Cyclohex-3-en-1-yl)(2-methylpiperidin-1-yl)methanoneMethanone, 3-cyclohexen-1-yl(2-methyl-1-piperidinyl)-Z183726212
Database identifiers
- CAS
69462-43-7- PubChem CID
- 90567
- DTXSID
DTXSID10989372- Nikkaji
- J3.188.377F
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 259
Physicochemical properties
- Boiling point
- 346.35 °C · 346.35°C (rough estimate)
- Density
- 0.9704 · 0.9704 (rough estimate)
- refractive index
- 1.48 · 1.4800 (estimate)
- pka
- -0.47 · -0.47±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers2 total
上海贺康生物技术有限公司17721021104 18939837085 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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