benzyl [1-(1H-Tetrazol-5-yl)ethyl]carbamate
Basic information
- CAS
33042-92-1- Standard SMILES
CC(NC(=O)OCc1ccccc1)c1nn[nH]n1- InChIKey
YANGFIWKGALYAU-UHFFFAOYSA-N- Molecular formula
- C11H13N5O2
- Average molar mass
- 247.25 g/mol
- Monoisotopic mass
- 247.10692467
Names & identifiers
- Preferred name
- benzyl [1-(1H-Tetrazol-5-yl)ethyl]carbamate
- IUPAC
- benzyl N-[1-(2H-tetrazol-5-yl)ethyl]carbamate
Names & synonyms
benzyl [1-(1H-Tetrazol-5-yl)ethyl]carbamate33042-92-1SCHEMBL22370927DTXSID901176289AKOS011126122Carbamic acid, [1-(1H-tetrazol-5-yl)ethyl]-, phenylmethyl ester
Database identifiers
- CAS
33042-92-1- PubChem CID
- 15547149
- DTXSID
DTXSID901176289
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 92.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 270
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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