2-chloroethyl 2-(5-methoxy-1H-indol-3-yl)ethylcarbamate
Basic information
- CAS
296264-82-9- Standard SMILES
COc1ccc2[nH]cc(CCNC(=O)OCCCl)c2c1- InChIKey
ZSGGKHYREWBQFB-UHFFFAOYSA-N- Molecular formula
- C14H17ClN2O3
- Average molar mass
- 296.75 g/mol
Names & identifiers
- Preferred name
- 2-chloroethyl 2-(5-methoxy-1H-indol-3-yl)ethylcarbamate
- IUPAC
- 2-chloroethyl N-[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate
- English name
- 2-chloroethyl 2-(5-methoxy-1H-indol-3-yl)ethylcarbamate
- Molecular formula
- C14H17ClN2O3
- Molecular weight
- 296.75
Names & synonyms
2-chloroethyl 2-(5-methoxy-1H-indol-3-yl)ethylcarbamate296264-82-9Cerep_0050112-chloroethyl (2-(5-methoxy-1H-indol-3-yl)ethyl)carbamate2-chloroethyl [2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate2-chloroethyl N-[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamateMixCom2_000282CBDivE_001277CBDivE_002660STK386873AKOS000623741ST50260261
Show more names
Carbamic acid, [2-(5-methoxy-1H-indol-3-yl)ethyl]-, 2-chloroethyl ester (9CI)
AI-981/34845005(2-chloroethoxy)-N-[2-(5-methoxyindol-3-yl)ethyl]carboxamide
Database identifiers
- CAS
296264-82-9
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 63.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 317
Physicochemical properties
- Boiling point
- 515.6 · 515.6±50.0 °C(Predicted)
- Density
- 1.279 · 1.279±0.06 g/cm3(Predicted)
- pka
- 12.2 · 12.20±0.46(Predicted)
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