Basic information
- CAS
92196-89-9- Standard SMILES
CC(C)NC(=O)OCCCc1ccccc1- InChIKey
PDSSUGSZBIOTAE-UHFFFAOYSA-N- Molecular formula
- C13H19NO2
- Average molar mass
- 221.29 g/mol
- Monoisotopic mass
- 221.14157885
Names & identifiers
- Preferred name
- Carbamic acid, isopropyl-, 3-phenylpropyl ester
- IUPAC
- 3-phenylpropyl N-propan-2-ylcarbamate
Names & synonyms
3-Phenylpropyl isopropylcarbamateIsopropylcarbamic acid 3-phenylpropyl esterCARBAMIC ACID, ISOPROPYL-, 3-PHENYLPROPYL ESTERMH 1317BRN 221581392196-89-9DTXSID70238919RefChem:332473DTXCID70161410SCHEMBL83928443-phenylpropyl propan-2-ylcarbamate
Database identifiers
- CAS
92196-89-9- PubChem CID
- 56352
- DTXSID
DTXSID70238919
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 198
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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