Basic information
- CAS
309720-07-8- Standard SMILES
CC1(C)CC(=O)C2=C(C1)N(c1sc3c(c1C#N)CCCCC3)C(N)=C(C#N)C2c1cccnc1- InChIKey
FGLFCLPMEPREPS-UHFFFAOYSA-N- Molecular formula
- C27H27N5OS
- Average molar mass
- 469.6 g/mol
- Monoisotopic mass
- 469.19363168
Names & identifiers
- Preferred name
- 2-Amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta(B)thien-2-YL)-7,7-DI methyl-5-oxo-4-(3-pyridinyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitri LE
- IUPAC
- 2-amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-7,7-dimethyl-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile
- English name
- SALOR-INT L223301-1EA
- Molecular formula
- C27H27N5OS
- Molecular weight
- 469.6
Names & synonyms
309720-07-82-Amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta(B)thien-2-YL)-7,7-DI methyl-5-oxo-4-(3-pyridinyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitri LE2-AMINO-1-(3-CYANO-5,6,7,8-TETRAHYDRO-4H-CYCLOHEPTA[B]THIEN-2-YL)-7,7-DI METHYL-5-OXO-4-(3-PYRIDINYL)-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRI LERefChem:463079648-912-32-amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-7,7-dimethyl-5-oxo-4-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrileOprea1_489336STK762352AKOS001735396AKOS022016121SR-01000528554SR-01000528554-1
Show more names
SALOR-INT L223301-1EA
2-AMINO-1-(3-CYANO-5,6,7,8-TETRAHYDRO-4H-CYCLOHEPTA[B]THIEN-2-YL)-7,7-DIMETHYL-5-OXO-4-(3-PYRIDINYL)-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 1,030
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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