Basic information
- CAS
1370592-57-6- Standard SMILES
CC1(C)CCc2cc(C#N)c(=O)[nH]c2C1- InChIKey
KZAUZCBKNMGRDA-UHFFFAOYSA-N- Molecular formula
- C12H14N2O
- Average molar mass
- 202.25 g/mol
- Monoisotopic mass
- 202.11061307
Names & identifiers
- Preferred name
- 7,7-Dimethyl-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
- IUPAC
- 7,7-dimethyl-2-oxo-1,5,6,8-tetrahydroquinoline-3-carbonitrile
- English name
- 7,7-dimethyl-2-oxo-1,5,6,8-tetrahydroquinoline-3-carbonitrile
- Molecular formula
- C12H14N2O
- Molecular weight
- 202.25236
Names & synonyms
1370592-57-67,7-dimethyl-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrileRefChem:544772982-490-47,7-dimethyl-2-oxo-1,5,6,8-tetrahydroquinoline-3-carbonitrile2-HYDROXY-7,7-DIMETHYL-5,6,7,8-TETRAHYDRO-QUINOLINE-3-CARBONITRILEVEC59257MFCD03237394AKOS022060572EN300-1698648Z1509694802
Database identifiers
- CAS
1370592-57-6- PubChem CID
- 71296258
- EC Number
- 982-490-4
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 432
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, P317, P319, P321, P330, P332+P317, P337+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%)
Chemistry & industry
Suppliers1 total
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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