Basic information
- CAS
17071-24-8- Standard SMILES
CC(=O)c1ccc(C)c(N)c1- InChIKey
MCQYTLIHRDCHHT-UHFFFAOYSA-N- Molecular formula
- C9H11NO
- Average molar mass
- 149.19 g/mol
- Monoisotopic mass
- 149.08406397
Names & identifiers
- Preferred name
- 1-(3-Amino-4-Methylphenyl)Ethanone
- IUPAC
- 1-(3-amino-4-methylphenyl)ethanone
- English name
- Ethanone, 1-(3-amino-4-methylphenyl)- (9CI)
- Molecular formula
- C9H11NO
- Molecular weight
- 149.19
Names & synonyms
1-(3-amino-4-methylphenyl)ethanoneDTXSID60321763RefChem:423261DTXCID60272882108-664-417071-24-81-(3-amino-4-methylphenyl)ethan-1-oneMFCD077875851-(3-amino-4-methyl-phenyl)ethanoneEthanone, 1-(3-amino-4-methylphenyl)-3'-Amino-4'-methylacetophenoneEthanone, 1-(3-amino-4-methylphenyl)- (9CI)
Show more names
1-(3-amino-4-methylphenyl)ethanone(SALTDATA: FREE)
NSC380875SCHEMBL571550MCQYTLIHRDCHHT-UHFFFAOYSA-NSAA07124STL122905AKOS000283196NSC-380875AC-27138
Database identifiers
- CAS
17071-24-8- PubChem CID
- 342914
- DTXSID
DTXSID60321763- EC Number
- 108-664-4
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 156
Physicochemical properties
- Melting point
- 83 °C · 83 °C
- Boiling point
- 306.4 · 306.4±22.0 °C(Predicted)
- Density
- 1.069 · 1.069±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- form
- solid
- pka
- 3.27 · 3.27±0.10(Predicted)
- Appearance
- Off-white to yellow Solid
- InChI
- 1S/C9H11NO/c1-6-3-4-8(7(2)11)5-9(6)10/h3-5H,10H2,1-2H3
- InChIKey
- MCQYTLIHRDCHHT-UHFFFAOYSA-N
- SMILES
- O=C(C)C1=CC(N)=C(C)C=C1
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P501
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, 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
- wgk
- WGK 3
- hs_code
- 2922390090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P264-P270-P301+P312-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers46 total
上海康恩博医药科技有限公司17510465506 · [email protected]
陕西格列弗生物科技研究有限责任公司13892423764 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
Related reactions
6 records
Compound notes
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