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Basic information
- CAS
25451-78-9- Standard SMILES
NC(=O)OCC(COC(N)=O)(c1ccccc1)c1ccccc1- InChIKey
YAMNETATHGQXBZ-UHFFFAOYSA-N- Molecular formula
- C17H18N2O4
- Average molar mass
- 314.34 g/mol
- Monoisotopic mass
- 314.12665706
Names & identifiers
- Preferred name
- 2,2-Diphenyl-1,3-propanediol dicarbamate
- IUPAC
- (3-carbamoyloxy-2,2-diphenylpropyl) carbamate
- English name
- Dicarbamic acid 2,2-diphenyltrimethylene ester
- Molecular formula
- C17H18N2O4
- Molecular weight
- 314.34
Names & synonyms
1,3-Propanediol, 2,2-diphenyl-, dicarbamate25451-78-95IRU0ETE5Y2,2-Diphenyl-1,3-propanediol dicarbamateNSC-108729DTXSID50180129RefChem:1059145DTXCID101026202,2-diphenylpropane-1,3-diyl dicarbamateNSC 108729BRN 3000823NSC108729
Show more names
Dicarbamic acid 2,2-diphenyltrimethylene ester1,3-Propanediol, 2,2-diphenyl-, dicarbamate (8CI)
UNII-5IRU0ETE5Y1, 2,2-diphenyl-, dicarbamate
Database identifiers
- CAS
25451-78-9- PubChem CID
- 97256
- DTXSID
DTXSID50180129- UNII
- 5IRU0ETE5Y
- Nikkaji
- J50.808J
Properties
Computed structural propertiesFilling in
- XLogP
- 2.3
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 363
Physicochemical properties
- FDA UNII
- 5 IRU0ETE5Y · 5IRU0ETE5Y
Related reactions
0 records
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Compound notes
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