Ethyl hexahydro-1H-azepine-1-propionate
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Basic information
- CAS
6763-93-5- Standard SMILES
CCOC(=O)CCN1CCCCCC1- InChIKey
PMJXFMISXSNVBR-UHFFFAOYSA-N- Molecular formula
- C11H21NO2
- Average molar mass
- 199.29 g/mol
- Monoisotopic mass
- 199.15722891
Names & identifiers
- Preferred name
- Ethyl hexahydro-1H-azepine-1-propionate
- IUPAC
- ethyl 3-(azepan-1-yl)propanoate
- English name
- ETHYL HEXAHYDRO-1H-AZEPINE-1-PROPANOATE, TECH., 90
- Molecular formula
- C11H21NO2
- Molecular weight
- 199.29
Names & synonyms
6763-93-5ethyl 3-(azepan-1-yl)propanoateEthyl hexahydro-1H-azepine-1-propionateMFCD00014117Ethyl hexahydro-1H-azepine-1-propanoate1H-Azepine-1-propanoicacid, hexahydro-, ethyl esterNSC73497EINECS 229-821-4NCIOpen2_000356SCHEMBL10256974DTXSID40217953ethyl 3-azaperhydroepinylpropanoate
Show more names
Hexahydro-1H-azepine-1-propionic acid ethyl esterEthyl hexahydro-1H-azepine-1-propanoate, tech., 90%1H-Azepine-1-propanoic acid, hexahydro-, ethyl esterEthyl hexahydro-1h-azepine-1-propanoate ,90 %, tech.
ETHYL HEXAHYDRO-1H-AZEPINE-1-PROPANOATE, TECH., 90Ethyl 3-hexamethyleneiminopropionateNSC 73497NSC-73497AKOS008960280NS00036144ST50307135
Database identifiers
- CAS
6763-93-5- PubChem CID
- 81233
- DTXSID
DTXSID40217953- EC Number
- 229-821-4
- Nikkaji
- J298.101G
Properties
Computed structural propertiesFilling in
- XLogP
- 1.7
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 163
Physicochemical properties
- Boiling point
- 125 · 125-128°C/11mmHg
- Density
- 0.96 · 0.9600
- refractive index
- 1.4617 · 1.4617 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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