Basic information
- CAS
1434050-55-1- Standard SMILES
CC1(C)Cc2cc3n(c2C1)CCN(c1nccc(Cl)c1C=O)C3=O- InChIKey
PKWFXNWHHJGUPZ-UHFFFAOYSA-N- Molecular formula
- C18H18ClN3O2
- Average molar mass
- 343.8 g/mol
Names & identifiers
- Preferred name
- 4-chloro-2-(7,7-dimethyl-1-oxo-1,3,4,6,7,8-hexahydro-2H-cyclopenta(4,5)pyrrolo(1,2-a)pyrazin-2-yl)nicotinaldehyde
- IUPAC
- 4-chloro-2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-10-yl)pyridine-3-carbaldehyde
- English name
- 4-Chloro-2-(7,7-diMethyl-1-oxo-3,4,7,8-tetrahydro-1H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-2(6H)-yl)nicotinaldehyde
- Molecular formula
- C18H18ClN3O2
- Molecular weight
- 343.81
Names & synonyms
1434050-55-14-chloro-2-(7,7-dimethyl-1-oxo-1,3,4,6,7,8-hexahydro-2H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-2-yl)nicotinaldehyde4-chloro-2-(7,7-dimethyl-1-oxo-1,3,4,6,7,8-hexahydro-2H-cyclopenta(4,5)pyrrolo(1,2-a)pyrazin-2-yl)nicotinaldehydeRefChem:520937978-581-34-Chloro-2-(7,7-dimethyl-1-oxo-3,4,7,8-tetrahydro-1H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-2(6H)-yl)nicotinaldehydeMFCD281346154-chloro-2-(1,3,4,6,7,8-hexahydro-7,7-dimethyl-1-oxo-2H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-2-yl)-3-Pyridinecarboxaldehyde4-chloro-2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-10-yl)pyridine-3-carbaldehydePKWFXNWHHJGUPZ-UHFFFAOYSA-N4-Chloro-2-{4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-10-yl}pyridine-3-carbaldehydeSCHEMBL14911757
Show more names
EOS-612104-Chloro-2-(7,7-dimethyl-1-oxo-3,4,7,8-tetrahydro-1H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-2(6H)-4-chloro-2-{4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,?]dodeca-2(6),7-dien-10-yl}pyridine-3-carbaldehyde
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 55.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 540
Physicochemical properties
- Boiling point
- 571.2 · 571.2±50.0 °C(Predicted)
- Density
- 1.42 · 1.42±0.1 g/cm3(Predicted)
- pka
- 1.78 · 1.78±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- REACH Registrations
- Active
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 ClassificationNot Classified
Hazard information
Hazard Classes and CategoriesNot Classified
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- REACH Registrations
- Active
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers33 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海皓竹医药科技有限公司18912729622 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Aladdin Scientific[email protected]
南通菡芳生物科技有限公司[email protected] 18017580634 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
南京药石科技股份有限公司4000255188 · [email protected]
上海宣月科技有限公司15216675652 · [email protected]
上海药砌源生物科技有限公司15026428026 19002516454 · [email protected]
上海宸香医药科技有限公司021-20960837 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
Related reactions
49 records
Compound notes
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