6,7,8,9-tetrahydro-5H-benzo(7)annulen-5-amine
Basic information
- CAS
17910-26-8- Standard SMILES
NC1CCCCc2ccccc21- InChIKey
UFBOKWPYNNXYIS-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-5-amine
- IUPAC
- 6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
- English name
- 6,7,8,9-Tetrahydro-5H-benzo[7]annulen-5-amine
- Molecular formula
- C11H15N
- Molecular weight
- 161.24
Names & synonyms
17910-26-86,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amineDTXSID202747866,7,8,9-tetrahydro-5H-benzo(7)annulen-5-amineRefChem:306088DTXCID60226244875-166-86,7,8,9-tetrahydro-5H-benzocyclohepten-5-ylamineMFCD090406575H-Benzocyclohepten-5-amine, 6,7,8,9-tetrahydro-SCHEMBL2792664SCHEMBL30831925
Show more names
AKOS BBV-008559UKRORGSYN-BB BBV-0085595-Amino-6,7,8,9-tetrahydro-5H-benzo[7]annulene
UFBOKWPYNNXYIS-UHFFFAOYSA-NSAA91026AKOS000128601SB34382SY181104DB-196875CS-0341673EN300-59646
Database identifiers
- CAS
17910-26-8- PubChem CID
- 25244
- DTXSID
DTXSID20274786- EC Number
- 875-166-8
- Nikkaji
- J2.879.328F
Properties
Computed structural properties
- XLogP
- 2.1
- 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
Physicochemical properties
- Boiling point
- 142 · 142-143 °C(Press: 22-23 Torr)
- Density
- 0.997 · 0.997±0.06 g/cm3(Predicted)
- pka
- 9.49 · 9.49±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 335 · H335-H302-H315-H318
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H335-H302-H315-H318
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
3 records
Compound notes
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