Basic information
- CAS
13156-01-9- Standard SMILES
OC1CN(C2CCCCC2)C1- InChIKey
GPNSPIGRLLHVCN-UHFFFAOYSA-N- Molecular formula
- C9H17NO
- Average molar mass
- 155.24 g/mol
- Monoisotopic mass
- 155.13101416
Names & identifiers
- Preferred name
- 3-Azetidinol, 1-cyclohexyl-
- IUPAC
- 1-cyclohexylazetidin-3-ol
- English name
- 1-Cyclohexyl-3-azetidinol
- Molecular formula
- C9H17NO
- Molecular weight
- 155.24
Names & synonyms
13156-01-93-Azetidinol, 1-cyclohexyl-DTXSID9065364NSC 150331RefChem:497891DTXCID60340531-cyclohexylazetidin-3-ol1-CYCLOHEXYL-3-AZETIDINOLNSC150331Oprea1_089224Oprea1_194025SCHEMBL526295
Show more names
MFCD00613464AKOS012586313NSC-150331SY511165AG-690/12764508F1907-3361
Database identifiers
- CAS
13156-01-9- PubChem CID
- 98585
- DTXSID
DTXSID9065364- Nikkaji
- J583.087G
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 126
Physicochemical properties
- Melting point
- 79 · 79-80 °C
- Boiling point
- 241.9 · 241.9±33.0 °C(Predicted)
- Density
- 1.115 · 1.115±0.06 g/cm3(Predicted)
- pka
- 14.33 · 14.33±0.20(Predicted)
- EPA Substance Registry System
- 3 · 3-Azetidinol, 1-cyclohexyl- (13156-01-9)
- TSCA
- TSCA listed
Safety & regulation
Hazard information
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information3-Azetidinol, 1-cyclohexyl-: INACTIVE
Upstream & downstream products
Upstream raw materials
Suppliers3 total
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
佰美济华（河南）医药科技有限公司0371-88900765 18037465274 · [email protected]
Related reactions
8 records
Compound notes
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