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Basic information
- CAS
39050-03-8- Standard SMILES
CC(=O)Cc1ncccc1C- InChIKey
GBHJULOPIKRXAE-UHFFFAOYSA-N- Molecular formula
- C9H11NO
- Average molar mass
- 149.193 g/mol
- Monoisotopic mass
- 149.08406397
Names & identifiers
- Preferred name
- 1-(3-Methylpyridin-2-yl)propan-2-one
- IUPAC
- 1-(3-Methylpyridin-2-yl)propan-2-one
- English name
- 1-(3-Methylpyridin-2-yl)acetone
- Molecular formula
- C9H11NO
- Molecular weight
- 149.19
Names & synonyms
AKOS P-21235831-(3-Methylpyridin-2-yl)acetone1-(3-Methylpyridin-2-yl)propan-2-one1-(3-Methyl-2-pyridinyl)-2-propanone2-Propanone, 1-(3-methyl-2-pyridinyl)-1-(3-methylpyridin-2-yl)acetone(SALTDATA: FREE)
Database identifiers
- CAS
39050-03-8- PubChem CID
- 16640571
- DTXSID
DTXSID80586312- ChEMBL
CHEMBL3229452- EC Number
- 106-928-3
Properties
Physicochemical properties
- form
- solid
- InChI
- 1S/C9H11NO/c1-7-4-3-5-10-9(7)6-8(2)11/h3-5H,6H2,1-2H3
- InChIKey
- GBHJULOPIKRXAE-UHFFFAOYSA-N
- SMILES
- O=C(C)CC(N=CC=C1)=C1C
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
- WGK Germany
- 3 · 3
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 Oral · Acute Tox. 4 Oral
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
- wgk
- 3
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers4 total
Aladdin Scientific[email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
2 records
Compound notes
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