Basic information
- CAS
20594-30-3- Standard SMILES
Cc1cc(=O)[nH]c2c1CCC2- InChIKey
HFLWTMZFPBSEFU-UHFFFAOYSA-N- Molecular formula
- C9H11NO
- Average molar mass
- 149.19 g/mol
- Monoisotopic mass
- 149.08406397
Names & identifiers
- Preferred name
- 4-methyl-1H,2H,5H,6H,7H-cyclopenta[b]pyridin-2-one
- IUPAC
- 4-methyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
- English name
- 4-Methyl-1,5,6,7-tetrahydro-2H-cyclopenta[b]-pyridin-2-one
- Molecular formula
- C9H11NO
- Molecular weight
- 149.19
Names & synonyms
4-methyl-1H,2H,5H,6H,7H-cyclopenta[b]pyridin-2-one4-methyl-1H,2H,5H,6H,7H-cyclopenta(b)pyridin-2-oneRefChem:524963881-538-020594-30-34-METHYL-6,7-DIHYDRO-5H-CYCLOPENTA[B]PYRIDIN-2-OL4-Methyl-1,5,6,7-tetrahydro-2H-cyclopenta[b]-pyridin-2-one4-Methyl-6,7-dihydro-1H-cyclopenta[b]pyridin-2(5H)-one4-methyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one4-methyl-1,5,6,7-tetrahydro-2h-cyclopenta[b]pyridin-2-oneMFCD161403092H-Cyclopenta[b]pyridin-2-one, 1,5,6,7-tetrahydro-4-methyl-
Show more names
4-methyl-6,7-dihydro-5H-[1]pyrindine-2-ol4-Methyl-6,7-dihydro-1H-cyclopenta[b]pyridin-2(5H)1,5,6,7-tetrahydro-4-methyl-2H-Cyclopenta[b]pyridin-2-one4-Methyl-6,7-Dihydro-5H-Cyclopenta[B]Pyridin-2-Ol(WX649105)
NSC150956SCHEMBL9056968DTXSID60302431MFCD18255918AKOS005071843BE-0711NSC-150956SY124564
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 273
Physicochemical properties
- Melting point
- 243 · 243-244 °C(Solv: ethanol (64-17-5))
- Boiling point
- 378 · 378.0±15.0 °C(Predicted)
- Density
- 1.13 · 1.13±0.1 g/cm3(Predicted)
- storage temp.
- 2 · Storage temp. 2-8°C
- pka
- 13.08 · 13.08±0.40(Predicted)
- Appearance
- Off-white to light yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HazardClass
- IRRITANT
- HS Code
- 2933998090 · 2933998090
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)
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
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers29 total
韶远科技(上海)有限公司4000665055 · [email protected]
宁波振岳医药科技有限公司19817745290 · [email protected]
上海缔络科技有限公司19279824758 19526192903 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
上海平果医药科技有限公司021-20432229 · [email protected]
北京奕博云天科技有限公司13811826434 · [email protected]
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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