Basic information
- CAS
57559-72-5- Standard SMILES
NC1CCCc2ccccc2C1- InChIKey
MDVRGZASGHPBAG-UHFFFAOYSA-N- Molecular formula
- C11H15N
- Average molar mass
- 161.24 g/mol
- Monoisotopic mass
- 161.12044948
Names & identifiers
- Preferred name
- 6,7,8,9-tetrahydro-5H-benzo(7)annulen-6-amine
- IUPAC
- 6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine
Names & synonyms
6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine57559-72-56,7,8,9-tetrahydro-5H-benzo(7)annulen-6-amineRefChem:538583859-763-06-amino-6,7,8,9-tetrahydro-5H-benzocyclohepteneSCHEMBL3243673CHEMBL1190678MDVRGZASGHPBAG-UHFFFAOYSA-NHCA55972AKOS005068241EN300-729594
Database identifiers
- CAS
57559-72-5- PubChem CID
- 41896
- ChEMBL
CHEMBL1190678- EC Number
- 859-763-0
- Nikkaji
- J395.459E
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 144
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Related reactions
3 records
Compound notes
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