Basic information
- CAS
3883-23-6- Standard SMILES
CCOC(=O)N(CO)CO- InChIKey
UPOVSWVIQVHMOK-UHFFFAOYSA-N- Molecular formula
- C5H11NO4
- Average molar mass
- 149.15 g/mol
- Monoisotopic mass
- 149.06880783
Names & identifiers
- Preferred name
- Ethyl N,N-bis(hydroxymethyl)carbamate
- IUPAC
- ethyl N,N-bis(hydroxymethyl)carbamate
- English name
- ethyl N,N-bis(hydroxymethyl)carbamate
- Molecular formula
- C5H11NO4
- Molecular weight
- 149.15
Names & synonyms
Ethyl N,N-bis(hydroxymethyl)carbamate3883-23-6NSC-67669ethyl bis(hydroxymethyl)carbamateNSC67669EINECS 223-417-1Bis(hydroxymethyl)urethaneHXC8XL62VJNCIOpen2_000184SCHEMBL1758559DTXSID40192099UPOVSWVIQVHMOK-UHFFFAOYSA-N
Show more names
Bis(hydroxymethyl)carbamic acid ethyl esterCarbamic acid, bis(hydroxymethyl)-, ethyl ester (7CI,8CI,9CI)
NSC 67669NS00030468Carbamic acid, bis(hydroxymethyl)-, ethyl ester
Database identifiers
- CAS
3883-23-6- PubChem CID
- 77491
- DTXSID
DTXSID40192099- UNII
- HXC8XL62VJ
- EC Number
- 223-417-1
- Nikkaji
- J217.734J
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 70 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 102
Physicochemical properties
- Boiling point
- 253.4 · 253.4±33.0 °C(Predicted)
- Density
- 1.276 · 1.276±0.06 g/cm3(Predicted)
- pka
- 13.25 · 13.25±0.10(Predicted)
- FDA UNII
- 8 XL62VJ · HXC8XL62VJ
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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