Basic information
- CAS
93145-55-2- Standard SMILES
OC(COCCN1CCCCCC1)c1ccccc1- InChIKey
CMCQSFYHKWUSDP-UHFFFAOYSA-N- Molecular formula
- C16H25NO2
- Average molar mass
- 263.37 g/mol
- Monoisotopic mass
- 263.18852904
Names & identifiers
- Preferred name
- Benzyl alcohol, alpha-((2-(hexahydro-1H-azepin-1-yl)ethoxy)methyl)-
- IUPAC
- 2-[2-(azepan-1-yl)ethoxy]-1-phenylethanol
- English name
- 2-[2-(azepan-1-yl)ethoxy]-1-phenyl-ethanol
- Molecular formula
- C16H25NO2
- Molecular weight
- 0
Names & synonyms
BRN 131710593145-55-2alpha-((2-(Hexahydro-1H-azepin-1-yl)ethoxy)methyl)benzyl alcoholBENZYL ALCOHOL, alpha-((2-(HEXAHYDRO-1H-AZEPIN-1-YL)ETHOXY)METHYL)-RefChem:3285662-[2-(Azepan-1-yl)ethoxy]-1-phenylethan-1-olDTXSID809186542-[2-(azepan-1-yl)ethoxy]-1-phenyl-ethanol
Database identifiers
- CAS
93145-55-2- PubChem CID
- 56564
- DTXSID
DTXSID80918654- Nikkaji
- J66.003E
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 221
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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