Basic information
- CAS
355817-34-4- Standard SMILES
COc1ccc(OC)c(CNC2CCCCCC2)c1- InChIKey
PEHQZQFYFPLKCT-UHFFFAOYSA-N- Molecular formula
- C16H25NO2
- Average molar mass
- 263.37 g/mol
- Monoisotopic mass
- 263.18852904
Names & identifiers
- Preferred name
- N-(2,5-dimethoxybenzyl)cycloheptanamine
- IUPAC
- N-[(2,5-dimethoxyphenyl)methyl]cycloheptanamine
- English name
- AKOS B023215
- Molecular formula
- C16H25NO2
- Molecular weight
- 263.38
Names & synonyms
N-(2,5-dimethoxybenzyl)cycloheptanamine355817-34-4N-[(2,5-dimethoxyphenyl)methyl]cycloheptanamineCambridge id 5537137Oprea1_590722Oprea1_683263DTXSID50355138BBL018615MFCD01135152STK145614AKOS000311675VS-06714
Show more names
AKOS B023215ART-CHEM-BB B023215CHEMBRDG-BB 5537137TIMTEC-BB SBB009635Cycloheptanamine, N-[(2,5-dimethoxyphenyl)methyl]-N-(2,5-dimethoxybenzyl)cycloheptanamine(SALTDATA: HCl)
DB-188268CS-0362055ST45143560[(2,5-dimethoxyphenyl)methyl]cycloheptylamineAB00087920-01AG-690/11822268SR-01000211938SR-01000211938-1
Database identifiers
- CAS
355817-34-4- PubChem CID
- 792178
- DTXSID
DTXSID50355138
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 30.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 239
Physicochemical properties
- Boiling point
- 381.9 · 381.9±27.0 °C(Predicted)
- Density
- 1.03 · 1.03±0.1 g/cm3(Predicted)
- pka
- 9.56 · 9.56±0.20(Predicted)
Chemistry & industry
Suppliers2 total
济南思考化学有限公司0531-0000 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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