Carbamic acid, 2-(dimethylamino)ethyl ester
Basic information
- CAS
4220-32-0- Standard SMILES
CN(C)CCOC(N)=O- InChIKey
LPVCCSSTZWTHFO-UHFFFAOYSA-N- Molecular formula
- C5H12N2O2
- Average molar mass
- 132.16 g/mol
- Monoisotopic mass
- 132.08987763
Overview
antiglaucoma drug; RN given refers to parent cpd
Names & identifiers
- Preferred name
- Carbamic acid, 2-(dimethylamino)ethyl ester
- IUPAC
- 2-(dimethylamino)ethyl carbamate
- English name
- 2-(dimethylamino)ethyl carbamate
- Molecular formula
- C5H12N2O2
- Molecular weight
- 132.16
Names & synonyms
N-Demethylcarbachol4220-32-0Carbamic acid, 2-(dimethylamino)ethyl esterY60Z74U51ENSC-27157DTXSID70195033RefChem:163208DTXCID80117524224-163-42-(Dimethylamino)ethyl carbamateNSC 27157UNII-Y60Z74U51E
Show more names
Dimethylaminoethyl carbamateCarbamic acid 2-(dimethylamino)ethyl ester
EINECS 224-163-4Doryl (Salt/Mix)Moryl (Salt/Mix)Carbyl (Salt/Mix)Lentin (Salt/Mix)Carbachol (Salt/Mix)Vasoperif (Salt/Mix)(dimethylaminoethyl) carbamate
Database identifiers
- CAS
4220-32-0- PubChem CID
- 48131
- DTXSID
DTXSID70195033- UNII
- Y60Z74U51E
- EC Number
- 224-163-4
- Nikkaji
- J205.644E
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 55.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 93
Physicochemical properties
- Melting point
- 64 °C · 64 °C
- Boiling point
- 120 · 120-125 °C(Press: 10 Torr)
- Density
- 1.053 · 1.053±0.06 g/cm3(Predicted)
- pka
- 13.32 · 13.32±0.50(Predicted)
- FDA UNII
- 60 Z74U51E · Y60Z74U51E
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Compound notes
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