Basic information
- CAS
16236-70-7- Standard SMILES
Cc1cc(=O)[nH]c2c1CCCC2- InChIKey
DKNZOMYQYUQHSV-UHFFFAOYSA-N- Molecular formula
- C10H13NO
- Average molar mass
- 163.22 g/mol
- Monoisotopic mass
- 163.09971404
Names & identifiers
- Preferred name
- 4-Methyl-5,6,7,8-tetrahydroquinolin-2(1h)-one
- IUPAC
- 4-methyl-5,6,7,8-tetrahydro-1H-quinolin-2-one
- English name
- 4-Methyl-5,6,7,8-tetrahydro-2(1H)-quinolinone
- Molecular formula
- C10H13NO
- Molecular weight
- 163.22
Names & synonyms
16236-70-74-methyl-5,6,7,8-tetrahydroquinolin-2(1h)-one4-methyl-5,6,7,8-tetrahydro-2(1H)-quinolinone4-methyl-5,6,7,8-tetrahydro-1H-quinolin-2-one4-methyl-5,6,7,8-tetrahydroquinolin-2-ol4-methyl-1,2,5,6,7,8-hexahydroquinolin-2-oneMFCD040374622(1H)-Quinolinone, 5,6,7,8-tetrahydro-4-methyl-4-methyl-5,6,7,8-tetrahydro-2-quinolinolNSC1509575,6,7,8-tetrahydro-4-methyl-2(1H)-QuinolinoneSCHEMBL4928326
Show more names
SCHEMBL22570509DTXSID20302432DKNZOMYQYUQHSV-UHFFFAOYSA-NAKOS005071852BE-0718NSC-150957DA-38297SY384221
Database identifiers
- CAS
16236-70-7- PubChem CID
- 289263
- DTXSID
DTXSID20302432- Nikkaji
- J966.886A
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 286
Physicochemical properties
- Melting point
- 248 · 248-250 °C
- Boiling point
- 384.9 · 384.9±15.0 °C(Predicted)
- Density
- 1.1 · 1.10±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 13.16 · 13.16±0.40(Predicted)
- Appearance
- Off-white to 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
- 2933499090 · 2933499090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933499090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers11 total
上海缔络科技有限公司19279824758 19526192903 · [email protected]
台州南峰药物研究所[email protected] 13127117265 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
重庆卡兰医药有限公司[email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
江苏艾康生物医药研发有限公司17714375163 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
都创（上海）医药科技股份有限公司021-58099077-8041 18601625411 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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