Basic information
- CAS
7450-61-5- Standard SMILES
CCOC(=O)Nc1cccc(NC(=O)OCC)c1- InChIKey
FNCONBBYGBPHQA-UHFFFAOYSA-N- Molecular formula
- C12H16N2O4
- Average molar mass
- 252.27 g/mol
- Monoisotopic mass
- 252.111007
Names & identifiers
- Preferred name
- C,C'-Diethyl N,N'-1,3-phenylenebis[carbamate]
- IUPAC
- ethyl N-[3-(ethoxycarbonylamino)phenyl]carbamate
Names & synonyms
7450-61-5C,C'-Diethyl N,N'-1,3-phenylenebis[carbamate]C,C'-Diethyl N,N'-1,3-phenylenebis(carbamate)RefChem:331503Diethyl 1,3-phenylenedicarbamatediethyl 1,3-phenylenebiscarbamatem-phenylene diurethaneethyl N-[3-(ethoxycarbonylamino)phenyl]carbamateDiethyl1,3-phenylenedicarbamateSCHEMBL7565149DTXSID601253488diethyl benzene-1,3-diylbiscarbamate
Show more names
STK440309AKOS003308453ST50929315SR-01000255992ethoxy-N-[3-(ethoxycarbonylamino)phenyl]carboxamideSR-01000255992-1C,Ca(2)-Diethyl N,Na(2)-1,3-phenylenebis[carbamate]
Database identifiers
- CAS
7450-61-5- PubChem CID
- 897252
- DTXSID
DTXSID601253488- Nikkaji
- J81.399K
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 76.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 257
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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