Basic information
- CAS
1353979-36-8- Standard SMILES
CCN(CCO)C1CCC(NC(=O)OCc2ccccc2)CC1- InChIKey
VTXBOHJYLGVMGC-UHFFFAOYSA-N- Molecular formula
- C18H28N2O3
- Average molar mass
- 320.4 g/mol
- Monoisotopic mass
- 320.20999276
Names & identifiers
- Preferred name
- {4-[Ethyl-(2-hydroxy-ethyl)-amino]-cyclohexyl}-carbamic acid benzyl ester
- IUPAC
- benzyl N-[4-[ethyl(2-hydroxyethyl)amino]cyclohexyl]carbamate
- English name
- {4-[Ethyl-(2-hydroxy-ethyl)-aMino]-cyclohexyl}-carbaMic acid benzyl ester
- Molecular formula
- C18H28N2O3
- Molecular weight
- 320.43
Names & synonyms
1353979-36-8{4-[Ethyl-(2-hydroxy-ethyl)-amino]-cyclohexyl}-carbamic acid benzyl esterBenzyl (4-(ethyl(2-hydroxyethyl)amino)cyclohexyl)carbamate(1R,4R)-{4-[Ethyl-(2-hydroxy-ethyl)-amino]-cyclohexyl}-carbamic acid benzyl esterbenzyl N-[4-[ethyl(2-hydroxyethyl)amino]cyclohexyl]carbamateDB-249694Benzyl(4-(ethyl(2-hydroxyethyl)amino)cyclohexyl)carbamateCarbamic acid, N-[4-[ethyl(2-hydroxyethyl)amino]cyclohexyl]-, phenylmethyl ester
Database identifiers
- CAS
1353979-36-8- PubChem CID
- 66564308
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 337
Physicochemical properties
- Boiling point
- 497.6 · 497.6±45.0 °C(Predicted)
- Density
- 1.12 · 1.12±0.1 g/cm3(Predicted)
- pka
- 12.22 · 12.22±0.40(Predicted)
Chemistry & industry
Suppliers1 total
江阴安博生物医药有限公司086-010-62176588 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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