Carbamic acid, cyclohexyl-, 1-(1,1-diethyl-2-propynyl)-3-azetidinyl ester, monohydrochloride
Basic information
- CAS
60752-96-7- Standard SMILES
C#CC(CC)(CC)[NH+]1CC(OC(=O)NC2CCCCC2)C1.[Cl-]- InChIKey
ITUGDFRGCAZWBS-UHFFFAOYSA-N- Molecular formula
- C17H29ClN2O2
- Average molar mass
- 328.9 g/mol
- Monoisotopic mass
- 328.1917559
Names & identifiers
- Preferred name
- Carbamic acid, cyclohexyl-, 1-(1,1-diethyl-2-propynyl)-3-azetidinyl ester, monohydrochloride
- IUPAC
- [1-(3-ethylpent-1-yn-3-yl)azetidin-1-ium-3-yl] N-cyclohexylcarbamate chloride
Names & synonyms
60752-96-7Carbamic acid, cyclohexyl-, 1-(1,1-diethyl-2-propynyl)-3-azetidinyl ester, monohydrochlorideRefChem:1080881Cyclohexylcarbamic acid 1-(1,1-diethyl-2-propynyl)-3-azetidinyl ester hydrochloride
Database identifiers
- CAS
60752-96-7- PubChem CID
- 43464
Properties
Computed structural properties
- Topological polar surface area
- 42.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 396
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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