Basic information
- CAS
35391-95-8- Standard SMILES
Nc1ccc2c(c1)C1C=CC2C1- InChIKey
IVJVBCKECSDPQU-UHFFFAOYSA-N- Molecular formula
- C11H11N
- Average molar mass
- 157.21 g/mol
- Monoisotopic mass
- 157.08914936
Names & identifiers
- Preferred name
- 1,4-Methanonaphthalene-6-amine, 1,4-dihydro-
- IUPAC
- tricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraen-4-amine
- English name
- 1,4-Methanonaphthalen-6-amine, 1,4-dihydro-
- Molecular formula
- C11H11N
- Molecular weight
- 157.21
Names & synonyms
35391-95-81,4-Methanonaphthalene-6-amine, 1,4-dihydro-1,4-Methanonaphthalene-6-amine,1,4-dihydro-SCHEMBL3228472DTXSID50956806RCL T198412AKOS0243300051,4-dihydro-1,4-methanonaphthalen-6-amineRCL T1984121,4-Methanonaphthalen-6-amine, 1,4-dihydro-
Database identifiers
- CAS
35391-95-8- PubChem CID
- 142001
- DTXSID
DTXSID50956806
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 221
Physicochemical properties
- Boiling point
- 292.4 · 292.4±29.0 °C(Predicted)
- Density
- 1.203 · 1.203±0.06 g/cm3(Predicted)
- pka
- 4.81 · 4.81±0.20(Predicted)
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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