Basic information
- CAS
36191-26-1- Standard SMILES
C1=CCC23CC=CCC2(C1)N3- InChIKey
DUYZYBHSKXBARX-UHFFFAOYSA-N- Molecular formula
- C10H13N
- Average molar mass
- 147.22 g/mol
- Monoisotopic mass
- 147.10479942
Names & identifiers
- Preferred name
- 11-Azatricyclo(4.4.1.0(1,6))undeca-3,8-diene
- IUPAC
- 11-azatricyclo[4.4.1.01,6]undeca-3,8-diene
- English name
- 11-Azatricyclo(4.4.1.0(1,6))undeca-3,8-diene
- Molecular formula
- C10H13N
- Molecular weight
- 147.22
Names & synonyms
36191-26-111-AZATRICYCLO(4.4.1.0(1,6))UNDECA-3,8-DIENERefChem:437214661-329-91,4,5,8-Tetrahydro-4a,8a-epiminonaphthaleneNaphthalen-4a,8a-imine, 1,4,5,8-tetrahydro-DUYZYBHSKXBARX-UHFFFAOYSA-NAKOS024341022Naphthalen-4a,8a-imine, 1,4,5,8-tetrahydro- (7CI,9CI)
Database identifiers
- CAS
36191-26-1- PubChem CID
- 549112
- EC Number
- 661-329-9
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 21.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 208
Physicochemical properties
- Boiling point
- 228.6 · 228.6±40.0 °C(Predicted)
- Density
- 1.1 · 1.10±0.1 g/cm3(Predicted)
- pka
- 7.24 · 7.24±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H335-H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H315-H335-H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers1 total
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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