Basic information
- CAS
25451-63-2- Standard SMILES
NC(=O)OCC(CO)(c1ccccc1)c1ccccc1- InChIKey
BXUSEVHVYZZWLZ-UHFFFAOYSA-N- Molecular formula
- C16H17NO3
- Average molar mass
- 271.31 g/mol
- Monoisotopic mass
- 271.1208434
Names & identifiers
- Preferred name
- 2,2-Diphenyl-1,3-propanediol carbamate
- IUPAC
- (3-hydroxy-2,2-diphenylpropyl) carbamate
- English name
- Carbamic acid 3-hydroxy-2,2-diphenylpropyl ester
- Molecular formula
- C16H17NO3
- Molecular weight
- 271.31
Names & synonyms
1,3-Propanediol, 2,2-diphenyl-, carbamate25451-63-2NSC 1087211,3-Propanediol, 2,2-diphenyl-, monocarbamateBRN 334824800ZUQ19K6J2,2-Diphenyl-1,3-propanediol monocarbamateNSC-108721UNII-00ZUQ19K6J2,2-Diphenyl-1,3-propanediol carbamateDTXSID301801274-06-00-06721 (Beilstein Handbook Reference)
Show more names
Carbamic acid 3-hydroxy-2,2-diphenylpropyl ester
RefChem:197278DTXCID401026181,3-Propanediol, 2,2-diphenyl-, monocarbamate (8CI)NSC1087213-HYDROXY-2,2-DIPHENYLPROPYL CARBAMATE1, 2,2-diphenyl-, monocarbamate
Database identifiers
- CAS
25451-63-2- PubChem CID
- 97255
- DTXSID
DTXSID30180127- UNII
- 00ZUQ19K6J
- Nikkaji
- J50.807A
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 289
Physicochemical properties
- FDA UNII
- 0 ZUQ19K6J · 00ZUQ19K6J
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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