3'-Amino-4'-methoxyacetanilide
Basic information
- CAS
6375-47-9- Standard SMILES
COc1ccc(NC(C)=O)cc1N- InChIKey
SJWQCBCAGCEWCV-UHFFFAOYSA-N- Molecular formula
- C9H12N2O2
- Average molar mass
- 180.2 g/mol
- Monoisotopic mass
- 180.08987762
Names & identifiers
- Preferred name
- 3'-Amino-4'-methoxyacetanilide
- IUPAC
- N-(3-amino-4-methoxyphenyl)acetamide
- English name
- 3'-Amino-4'-methoxyacetanilide
- Molecular formula
- C9H12N2O2
- Molecular weight
- 180.2
Names & synonyms
N-(3-Amino-4-methoxyphenyl)acetamide6375-47-93'-Amino-4'-methoxyacetanilideAcetamide, N-(3-amino-4-methoxyphenyl)-3-Amino-4-methoxyacetanilideCCRIS 9091DTXSID2027620EINECS 228-938-8DTXCID507620pAcetanisidide, 3'amino3Amino4methoxyacetanilideRefChem:484608
Show more names
2-Methoxy-5-(acetylamino)anilineTIMTEC-BB SBB0002175-ACETAMIDO-O-ANISIDINEo-Amino-p-acetanisidine4-ACETAMIDO-2-AMINOANISOLE4-ACETAMINO-2-AMINOANISOLE2-AMINO-4-ACETAMIDOANISOLE
Acetamide, N(3amino4methoxyphenyl)228-938-82-Amino-4-acetamino anisolep-Acetanisidide, 3'-amino-N-(3-amino-4-methoxy-phenyl)acetamide3-Amino-4-Methoxy Acetanilide3-Amino-p-acetanisidideFSR7TUQ7VK
Database identifiers
- CAS
6375-47-9- PubChem CID
- 80779
- DTXSID
DTXSID2027620- ChEMBL
CHEMBL3184844- UNII
- FSR7TUQ7VK
- EC Number
- 228-938-8
- Nikkaji
- J59.981F
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 184
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Other Aromatics (Nitrogen)
Collision Cross Section137.3 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID2027620]
Physicochemical properties
- Melting point
- 109 °C · 109°C
- Boiling point
- 313.03 °C · 313.03°C (rough estimate)
- Density
- 1.1819 · 1.1819 (rough estimate)
- refractive index
- 1.5373 · 1.5373 (estimate)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- soluble in Methanol
- form
- powder to crystal
- pka
- 14.23 · 14.23±0.70(Predicted)
- color
- White to Gray to Brown
- Stability
- Hygroscopic
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 81.8% (9 of 11) of all reports.
Warning
H302 (18.2%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 11 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Not Classified
Hazard information
Hazards SummaryAn irritant; [Sigma-Aldrich MSDS] See Acetanilide.
Hazard Classes and CategoriesAcute Tox. 4 (18.2%)
Safety data
- wgk
- 1
- tsca
- TSCA listed
- hs_code
- 2924299090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- hazard_class
- IRRITANT
- Hazard statements
- H315-H302-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationAcetamide, N-(3-amino-4-methoxyphenyl)-: ACTIVE
Applications
Uses3'-Amino-4'-methoxyacetanilide mainly used as a disperse dye intermediate
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
9 records
Compound notes
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