Basic information
- CAS
179055-42-6- Standard SMILES
c1cncc(CNC2CCCCCC2)c1- InChIKey
FTRVXHDWFVARHI-UHFFFAOYSA-N- Molecular formula
- C13H20N2
- Average molar mass
- 204.31 g/mol
- Monoisotopic mass
- 204.16264865
Names & identifiers
- Preferred name
- N-(pyridin-3-ylmethyl)cycloheptanamine
- IUPAC
- N-(pyridin-3-ylmethyl)cycloheptanamine
- English name
- N-(pyridin-3-ylmethyl)cycloheptanamine
- Molecular formula
- C13H20N2
- Molecular weight
- 204.31
Names & synonyms
N-(pyridin-3-ylmethyl)cycloheptanamine179055-42-6N-(3-PYRIDINYLMETHYL)CYCLOHEPTANAMINEN-(3-Pyridylmethyl)cycloheptanamineDTXSID30405963BBL000306MFCD07408153STK513312AKOS002615848N-[(pyridin-3-yl)methyl]cycloheptanamineDB-188397CS-0336768
Show more names
UKRORGSYN-BB BBV-1707723-Pyridinemethanamine, N-cycloheptyl-N-(3-pyridinylmethyl)cycloheptanamine(SALTDATA: HCl)
Z90507765
Database identifiers
- CAS
179055-42-6- PubChem CID
- 4720008
- DTXSID
DTXSID30405963
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 24.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 162
Physicochemical properties
- Boiling point
- 330.8 · 330.8±17.0 °C(Predicted)
- Density
- 1 · 1.00±0.1 g/cm3(Predicted)
- pka
- 8.93 · 8.93±0.20(Predicted)
Chemistry & industry
Suppliers2 total
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [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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