Completing data — refresh the page later to see the latest
Basic information
- CAS
34801-09-7- Standard SMILES
CC(=O)Nc1ccccc1N- InChIKey
MPXAYYWSDIKNTP-UHFFFAOYSA-N- Molecular formula
- C8H10N2O
- Average molar mass
- 150.18 g/mol
- Monoisotopic mass
- 150.07931294
Names & identifiers
- Preferred name
- o-Aminoacetanilide
- IUPAC
- N-(2-aminophenyl)acetamide
- English name
- 2'-Aminoacetanilide
- Molecular formula
- C8H10N2O
- Molecular weight
- 150.18
Names & synonyms
34801-09-7o-aminoacetanilideAcetamide, N-(2-aminophenyl)-N-Acetyl-o-phenylenediamineN-Acetyl-2-aminoanilineLB34XRQ95V2-ACETAMIDOANILINENSC 16117NSC-16117UNII-LB34XRQ95VAMINOACETANILIDE, O-RefChem:202351
Show more names
2-AMINOACETANILIDE2-AMinoactanilide2'-AminoacetanilideTrametinib Impurity 272'-Aminoacetanilide 98%2'-Aminoacetanilide >2'-Aminoacetanilide ,98%N-(2-aminophenyl)ethanamide
N-(2-Aminophenyl)acetamideMFCD00210388N-Acetyl-1,2-phenylenediamine2'-AcetamidoanilineTimTec1_0048822'-Aminoacetanilide, 98%Oprea1_268954SCHEMBL463597
Database identifiers
- CAS
34801-09-7、555-48-6- PubChem CID
- 11149
- DTXSID
DTXSID4043854- UNII
- LB34XRQ95V
- Nikkaji
- J43.350K
Properties
Computed structural propertiesFilling in
- XLogP
- 0
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 147
Physicochemical properties
- Melting point
- 133 · 133-137 °C(lit.)
- Boiling point
- 271.72 °C · 271.72°C (rough estimate)
- Density
- 1.1392 · 1.1392 (rough estimate)
- refractive index
- 1.618 · 1.6180 (estimate)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- form
- powder to crystalline
- pka
- 14.73 · 14.73±0.70(Predicted)
- color
- Light orange to Light red
- Water Solubility
- 107.5 g/L · 107.5g/L(22 ºC)
- InChI
- 1S/C8H10N2O/c1-6(11)10-8-5-3-2-4-7(8)9/h2-5H,9H2,1H3,(H,10,11)
- InChIKey
- MPXAYYWSDIKNTP-UHFFFAOYSA-N
- SMILES
- CC(=O)Nc1ccccc1N
- CAS DataBase Reference
- 34801 · 34801-09-7(CAS DataBase Reference)
- FDA UNII
- 34 XRQ95V · LB34XRQ95V
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
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 2924297099
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses2′-Aminoacetanilide may be used in the preparation of:2-Methylbenzimidazole.N-(2-(1,3-Dimethyl-2,4-dioxo-5-phenyl-3,4-dihydro-1H-pyrrolo[3,4-d]pyrimidin-6(2H)-yl)phenyl)-5-methylfuran-2-carboxamide, a potent cystic fibrosis transmembrane conductance regulator (CFTR) inhibitor.Azobenzothiazole dyes, N-[2-(6-nitrobenzothiazol-2-ylazo)phenyl]acetamide and N-[2-(benzothiazol-2-ylazo)phenyl]acetamide.
General Description2′-Aminoacetanilide (2-aminoacetanilide, o-aminoacetanilide) can be prepared by the catalytic hydrogenation of 2-nitroacetanilide using 10%Pd/C (palladium/carbon).
Upstream & downstream products
Upstream raw materials
Suppliers90 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
盐城通铭生物科技有限公司15195160625 · [email protected]
Related reactions
6 records
Compound notes
Loading…