Basic information
- CAS
25384-92-3- Standard SMILES
CCCC(C)(COC(N)=O)COC(=O)Nc1cccnc1.Cl- InChIKey
PWEZXHPFTXEFET-UHFFFAOYSA-N- Molecular formula
- C14H22ClN3O4
- Average molar mass
- 331.79 g/mol
- Monoisotopic mass
- 331.1298839
Names & identifiers
- Preferred name
- 3-Pyridinecarbamic acid, 2-(hydroxymethyl)-2-methylpentyl ester, carbamate (ester), monohydrochloride
- IUPAC
- [2-(carbamoyloxymethyl)-2-methylpentyl] N-pyridin-3-ylcarbamate;hydrochloride
Names & synonyms
25384-92-33-Pyridinecarbamic acid, 2-(hydroxymethyl)-2-methylpentyl ester, carbamate (ester), monohydrochlorideRefChem:1068592
Database identifiers
- CAS
25384-92-3- PubChem CID
- 212919
Properties
Computed structural properties
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 351
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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