Basic information
- CAS
356075-79-1- Standard SMILES
COc1cc(CNC2CCCCCC2)cc(OC)c1OC- InChIKey
LKZYJHOBZAMOTO-UHFFFAOYSA-N- Molecular formula
- C17H27NO3
- Average molar mass
- 293.4 g/mol
- Monoisotopic mass
- 293.19909372
Names & identifiers
- Preferred name
- N-(3,4,5-trimethoxybenzyl)cycloheptanamine
- IUPAC
- N-[(3,4,5-trimethoxyphenyl)methyl]cycloheptanamine
- English name
- CHEMBRDG-BB 5457344
- Molecular formula
- C17H27NO3
- Molecular weight
- 293.4
Names & synonyms
N-(3,4,5-trimethoxybenzyl)cycloheptanamine356075-79-1N-[(3,4,5-trimethoxyphenyl)methyl]cycloheptanamineHMS2448N22SMR000069686Oprea1_421288Oprea1_629334MLS000059222CHEMBL1558662DTXSID50354828STK128736AKOS002616942
Show more names
CHEMBRDG-BB 5457344Cycloheptanamine, N-[(3,4,5-trimethoxyphenyl)methyl]-N-(3,4,5-trimethoxybenzyl)cycloheptanamine(SALTDATA: HBr)
DB-213908ST45110828N-cycloheptyl-N-(3,4,5-trimethoxybenzyl)amineAT-057/42888423cycloheptyl[(3,4,5-trimethoxyphenyl)methyl]amineN-[(3,4,5-trimethoxyphenyl)methyl]cycloheptanamine--oxalic acid (1/1)
Database identifiers
- CAS
356075-79-1- PubChem CID
- 784133
- DTXSID
DTXSID50354828- ChEMBL
CHEMBL1558662
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 39.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 265
Physicochemical properties
- Boiling point
- 403.4 · 403.4±40.0 °C(Predicted)
- Density
- 1.05 · 1.05±0.1 g/cm3(Predicted)
- pka
- 9.31 · 9.31±0.20(Predicted)
Chemistry & industry
Suppliers1 total
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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