Basic information
- CAS
60145-64-4- Standard SMILES
NC12CCCC3CC(CCC31)C2- InChIKey
HBQIEQAURBDCQB-UHFFFAOYSA-N- Molecular formula
- C11H19N
- Average molar mass
- 165.27 g/mol
- Monoisotopic mass
- 165.15174961
Names & identifiers
- Preferred name
- 1,6-Methanonaphthalen-1(2H)-amine, octahydro-
- IUPAC
- tricyclo[5.3.1.03,8]undecan-3-amine
- English name
- 3,4,4a,5,6,7,8,8a-Octahydro-1,6-methanonaphthalen-1(2H)-amine
- Molecular formula
- C11H19N
- Molecular weight
- 165.28
Names & synonyms
3-Amino-4-homoisotwistaneOctahydro-1,6-methanonaphthalen-1(2H)-amineBRN 20742331,6-Methanonaphthalen-1(2H)-amine, octahydro-DTXSID30975570RefChem:221602DTXCID10140296960145-64-4CHEMBL3305359SCHEMBL30067684Octahydro-1,6-methano-naphthalen-4a-ylamine3,4,4a,5,6,7,8,8a-Octahydro-1,6-methanonaphthalen-1(2H)-amine
Database identifiers
- CAS
60145-64-4- PubChem CID
- 511454
- DTXSID
DTXSID30975570- ChEMBL
CHEMBL3305359- Nikkaji
- J85.466B
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 201
Physicochemical properties
- Boiling point
- 283.15 °C · 283.15°C (rough estimate)
- Density
- 0.8678 · 0.8678 (rough estimate)
- refractive index
- 1.46 · 1.4600 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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