2-(Azonan-1-yl)ethyl hydroxy(diphenyl)acetate--hydrogen chloride (1/1)
Basic information
- CAS
99901-10-7- Standard SMILES
O=C(OCC[NH+]1CCCCCCCC1)C(O)(c1ccccc1)c1ccccc1.[Cl-]- InChIKey
YDFKMDIYJISSRT-UHFFFAOYSA-N- Molecular formula
- C24H32ClNO3
- Average molar mass
- 418 g/mol
- Monoisotopic mass
- 417.2070716
Names & identifiers
- Preferred name
- 2-(Azonan-1-yl)ethyl hydroxy(diphenyl)acetate--hydrogen chloride (1/1)
- IUPAC
- 2-(azonan-1-ium-1-yl)ethyl 2-hydroxy-2,2-diphenylacetate chloride
Names & synonyms
99901-10-7DTXSID109124032-(Azonan-1-yl)ethyl hydroxy(diphenyl)acetate--hydrogen chloride (1/1)RefChem:1061456DTXCID301341424Octahydro-1H-azonine-1-ethanol benzilate hydrochloride2-(1,8-Octamethyleneamino)ethyl benzilate hydrochloride1H-AZONINE-1-ETHANOL, OCTAHYDRO-, BENZILATE, HYDROCHLORIDE
Database identifiers
- CAS
99901-10-7- PubChem CID
- 57578
Properties
Computed structural properties
- Topological polar surface area
- 51 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 427
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Compound notes
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