Basic information
- CAS
60752-81-0- Standard SMILES
C#CC(C)(C)[NH+]1CC(OC(=O)NCCC)C1.[Cl-]- InChIKey
HOUGCMPZCKNBIF-UHFFFAOYSA-N- Molecular formula
- C12H21ClN2O2
- Average molar mass
- 260.76 g/mol
- Monoisotopic mass
- 260.1291556
Names & identifiers
- Preferred name
- 1-(2-Methylbut-3-yn-2-yl)azetidin-3-yl hydrogen propylcarbonimidate--hydrogen chloride (1/1)
- IUPAC
- [1-(2-methylbut-3-yn-2-yl)azetidin-1-ium-3-yl] N-propylcarbamate chloride
Names & synonyms
60752-81-0DTXSID109762221-(2-Methylbut-3-yn-2-yl)azetidin-3-yl hydrogen propylcarbonimidate--hydrogen chloride (1/1)RefChem:1054014DTXCID501403602Propylcarbamic acid 1-(1,1-dimethyl-2-propynyl)-3-azetidinyl ester hydrochlorideCarbamic acid, propyl-, 1-(1,1-dimethyl-2-propynyl)-3-azetidinyl ester, monohydrochloride
Database identifiers
- CAS
60752-81-0- PubChem CID
- 43447
Properties
Computed structural properties
- Topological polar surface area
- 42.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 297
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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