Basic information
- CAS
6673-33-2- Standard SMILES
CCOC(=O)Nc1ccc(OCC(O)CNC(C)C)cc1- InChIKey
AXIFAUVPXCABHW-UHFFFAOYSA-N- Molecular formula
- C15H24N2O4
- Average molar mass
- 296.36 g/mol
- Monoisotopic mass
- 296.17360725
Names & identifiers
- Preferred name
- Ethyl (4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)phenyl)carbamate
- IUPAC
- ethyl N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]carbamate
- English name
- Carbanilic acid, p-(2-hydroxy-3-(isopropylamino)propoxy)-, ethyl ester
- Molecular formula
- C15H24N2O4
- Molecular weight
- 296.36
Names & synonyms
6673-33-2Carbanilic acid, p-(2-hydroxy-3-(isopropylamino)propoxy)-, ethyl esterEthyl (4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)phenyl)carbamateCarbamic acid, (4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)phenyl)-, ethyl esterSCHEMBL30234472DTXSID60985309Ethyl (4-{2-hydroxy-3-[(propan-2-yl)amino]propoxy}phenyl)carbamateCarbamic acid, [4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]phenyl]-, ethyl ester (9CI)
Database identifiers
- CAS
6673-33-2- PubChem CID
- 54979
- DTXSID
DTXSID60985309- Nikkaji
- J366.365E
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 291
Physicochemical properties
- Melting point
- 102 · 102-103 °C
- Boiling point
- 419.9 · 419.9±40.0 °C(Predicted)
- Density
- 1.144 · 1.144±0.06 g/cm3(Predicted)
- pka
- 13.26 · 13.26±0.70(Predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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