Basic information
- CAS
71556-64-4- Standard SMILES
CCOC(=O)C1CCN1C(c1ccccc1)c1ccccc1- InChIKey
XUPWBUFVHLNUNE-UHFFFAOYSA-N- Molecular formula
- C19H21NO2
- Average molar mass
- 295.4 g/mol
- Monoisotopic mass
- 295.15722891
Names & identifiers
- Preferred name
- Ethyl 1-benzhydrylazetidine-2-carboxylate
- IUPAC
- ethyl 1-benzhydrylazetidine-2-carboxylate
- English name
- Ethyl 1-benzhydrylazetidine-2-carboxylate
- Molecular formula
- C19H21NO2
- Molecular weight
- 295.38
Names & synonyms
ethyl 1-benzhydrylazetidine-2-carboxylate71556-64-4DTXSID70344529RefChem:342015DTXCID30295604ethyl 1-(diphenylmethyl)azetidine-2-carboxylateETHYL1-BENZHYDRYLAZETIDINE-2-CARBOXYLATESCHEMBL5785042N-benzhydryl-2-carboethoxyazetidineSB51780Ethyl 1-benzhydryl-2-azetidinecarboxylate #1-Benzhydryl-azetidine-2-carboxylic acid, ethyl ester
Show more names
1-Benzhydryl-azetidine-2-carboxylic acid ethyl ester1-(Diphenylmethyl)-2-azetidinecarboxylic acid ethyl ester2-Azetidinecarboxylic acid, 1-(diphenylmethyl)-, ethyl ester
Database identifiers
- CAS
71556-64-4- PubChem CID
- 597637
- DTXSID
DTXSID70344529
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 340
Physicochemical properties
- Melting point
- 73 · 73-75 °C
- Boiling point
- 380 ℃ · 380℃
- Density
- 1.143 · 1.143
- Flash point
- 123 ℃ · 123℃
- storage temp.
- 2 · 2-8°C
- pka
- 5.39 · 5.39±0.40(Predicted)
Chemistry & industry
Suppliers4 total
上海书亚医药科技有限公司400-685-9117 · [email protected]
重庆维勒科技有限公司023-62913599
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Related reactions
1 records
Compound notes
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