Basic information
- CAS
69353-33-9- Standard SMILES
NCC1(N)CCCCc2ccccc21- InChIKey
QCKMDKHNNCHWHT-UHFFFAOYSA-N- Molecular formula
- C12H18N2
- Average molar mass
- 190.28 g/mol
- Monoisotopic mass
- 190.14699858
Names & identifiers
- Preferred name
- 5H-Benzocycloheptene-5-amine, 6,7,8,9-tetrahydro-5-aminomethyl-
- IUPAC
- 5-(aminomethyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine
- English name
- 6,7,8,9-Tetrahydro-5-aminomethyl-5H-benzocyclohepten-5-amine
- Molecular formula
- C12H18N2
- Molecular weight
- 190.28
Names & synonyms
BRN 5515855Amino-1 aminomethyl-1 benzosuberane69353-33-95-Aminomethyl-6,7,8,9-tetrahydro-5H-benzocycloheptene-5-amine5H-BENZOCYCLOHEPTENE-5-AMINE, 6,7,8,9-TETRAHYDRO-5-AMINOMETHYL-RefChem:305373DTXSID209891065-(aminomethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amineReaxys ID: 55158556,7,8,9-Tetrahydro-5-aminomethyl-5H-benzocyclohepten-5-amine5H-Benzocycloheptene-5-methanamine, 5-amino-6,7,8,9-tetrahydro-
Database identifiers
- CAS
69353-33-9- PubChem CID
- 50431
- DTXSID
DTXSID20989106- Nikkaji
- J69.288C
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 193
Physicochemical properties
- Boiling point
- 315.3 · 315.3±25.0 °C(Predicted)
- Density
- 1.029 · 1.029±0.06 g/cm3(Predicted)
- pka
- 10.25 · 10.25±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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