Basic information
- CAS
10408-86-3- Standard SMILES
[Cl-].[NH3+]C1CCCCc2ccccc21- InChIKey
ADJNJLPAJFJRCW-UHFFFAOYSA-N- Molecular formula
- C11H16ClN
- Average molar mass
- 197.7 g/mol
- Monoisotopic mass
- 197.0971272
Names & identifiers
- Preferred name
- 5H-Benzocyclohepten-5-amine, 6,7,8,9-tetrahydro-, hydrochloride (1:1)
- IUPAC
- 6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylazanium chloride
- English name
- 6,7,8,9-Tetrahydro-5H-benzo[7]annulen-5-amine hydrochloride
- Molecular formula
- C11H16ClN
- Molecular weight
- 197.71
Names & synonyms
RefChem:10734275H-Benzocyclohepten-5-amine, 6,7,8,9-tetrahydro-, hydrochloride (1:1)10408-86-36,7,8,9-Tetrahydro-5H-benzocyclohepten-5-amine hydrochloride6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylazanium;chloride5-Amino-6,7,8,9-tetrahydro-5H-benzocycloheptene hydrochloride5H-BENZOCYCLOHEPTEN-5-AMINE, 6,7,8,9-TETRAHYDRO-, HYDROCHLORIDE6,7,8,9-TETRAHYDRO-5H-BENZO[7]ANNULEN-5-AMINE HCL6,7,8,9-Tetrahydro-5H-benzo[7]annulen-5-amine hydrochloride6,7,8,9-Tetrahydro-5H-benzocyclohepten-5-ylamine hydrochloride
Database identifiers
- CAS
10408-86-3- PubChem CID
- 25243
Properties
Computed structural properties
- Topological polar surface area
- 27.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 144
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
- Toxicity
- 50 · mouse,LD50,intravenous,50mg/kg (50mg/kg),Collection of Czechoslovak Chemical Communications. Vol. 36, Pg. 1611, 1971.
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- mouse,LD50,intravenous,50mg/kg (50mg/kg),Collection of Czechoslovak Chemical Communications. Vol. 36, Pg. 1611, 1971.
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Suppliers3 total
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
北京珐默兹医药科技有限公司010-80339217; 13331045123 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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