Basic information
- CAS
100445-94-1- Standard SMILES
CC(=O)Nc1c(C)ccc(N)c1C- InChIKey
XBXZREDVMSYCOS-UHFFFAOYSA-N- Molecular formula
- C10H14N2O
- Average molar mass
- 178.23 g/mol
- Monoisotopic mass
- 178.11061307
Names & identifiers
- Preferred name
- N-(3-amino-2,6-dimethylphenyl)acetamide
- IUPAC
- N-(3-amino-2,6-dimethylphenyl)acetamide
- English name
- 3'-Amino-2',6'-dimethylacetanilide
- Molecular formula
- C10H14N2O
- Molecular weight
- 178.23
Names & synonyms
N-(3-amino-2,6-dimethylphenyl)acetamide100445-94-1DTXSID00357228RefChem:361217DTXCID703082871-Acetamido-3-amino-2,6-dimethylbenzeneMFCD00211070Acetamide, N-(3-amino-2,6-dimethylphenyl)-N-(3-amino-2,6-dimethyl-phenyl)acetamideN-(3-amino-2,6-dimethylphenyl)-acetamideAcetamide,N-(3-amino-2,6-dimethylphenyl)-SCHEMBL10390205
Show more names
3'-Amino-2',6'-dimethylacetanilide
ALBB-023727SBB071733STK133467AKOS000196189LS-07500SY174656CS-0216552ST45026913
Database identifiers
- CAS
100445-94-1- PubChem CID
- 847848
- DTXSID
DTXSID00357228
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 193
Physicochemical properties
- Boiling point
- 343.2 · 343.2±30.0 °C(Predicted)
- Density
- 1.132 · 1.132±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- Methanol
- form
- Solid
- pka
- 14.84 · 14.84±0.70(Predicted)
- color
- Off-White
Chemistry & industry
Applications
Uses3'-AMINO-2',6'-DIMETHYLACETANILIDE is used in the synthesis of pyrrolizidine derivatives with antiarrhythmic activity.
Suppliers9 total
上海陶素生化科技有限公司021-33632979 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
河北唯特医药科技有限公司13180081292 13180081292 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
6 records
Compound notes
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