Basic information
- CAS
37124-21-3- Standard SMILES
Cl.O=C(OCCOCCN1CCCCCC1)C1CC1(c1ccccc1)c1ccccc1- InChIKey
DMWBSGHXTYIMRQ-UHFFFAOYSA-N- Molecular formula
- C26H34ClNO3
- Average molar mass
- 444 g/mol
- Monoisotopic mass
- 443.2227216
Names & identifiers
- Preferred name
- Cyclopropanecarboxylic acid, 2,2-diphenyl-, 2-(2-(hexahydro-1H-azepin-1-yl)ethoxy)ethyl ester, hydrochloride
- IUPAC
- 2-[2-(azepan-1-yl)ethoxy]ethyl 2,2-diphenylcyclopropane-1-carboxylate;hydrochloride
Names & synonyms
37124-21-3Cyclopropanecarboxylic acid, 2,2-diphenyl-, 2-(2-(hexahydro-1H-azepin-1-yl)ethoxy)ethyl ester, hydrochlorideRefChem:336248DTXSID109583012-[2-(Azepan-1-yl)ethoxy]ethyl 2,2-diphenylcyclopropane-1-carboxylate--hydrogen chloride (1/1)
Database identifiers
- CAS
37124-21-3- PubChem CID
- 216136
- DTXSID
DTXSID10958301
Properties
Computed structural properties
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 498
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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