Basic information
- CAS
56891-59-9- Standard SMILES
CC(=O)Nc1ccc(N)cc1C- InChIKey
GWFPMSIIVJMYRZ-UHFFFAOYSA-N- Molecular formula
- C9H12N2O
- Average molar mass
- 164.2 g/mol
- Monoisotopic mass
- 164.094963
Names & identifiers
- Preferred name
- 4'-Amino-2'-methylacetanilide
- IUPAC
- N-(4-amino-2-methylphenyl)acetamide
- English name
- N1-(4-Amino-2-methylphenyl)acetamide
- Molecular formula
- C9H12N2O
- Molecular weight
- 164.2
Names & synonyms
4'-Amino-2'-methylacetanilideRefChem:505964639-385-0N-(4-amino-2-methylphenyl)acetamide56891-59-9N1-(4-Amino-2-Methylphenyl)AcetamideN-(4-Amino-2-methyl-phenyl)-acetamideMFCD00276633NSC2316624-acetamido-m-toluidine4-Acetamino-3-methylanilineOprea1_009066
Show more names
4-Acetylamino-m-toluidineAcetamide, N-(4-amino-2-methylphenyl)-N1-(4-Amino-2-methylphenyl)acetamide, techN-(4-Amino-2-methylphenyl)acetamide, 4-Acetamido-3-methylaniline
Oprea1_705452SCHEMBL1358811SCHEMBL30168176DTXSID20310779GCA89159SBB017958STK387557AKOS000100072
Database identifiers
- CAS
56891-59-9- PubChem CID
- 314338
- DTXSID
DTXSID20310779- EC Number
- 639-385-0
- Nikkaji
- J29.389J
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 170
Physicochemical properties
- Melting point
- 141 °C · 141 °C
- Boiling point
- 259.9 · 259.9±20.0 °C(Predicted)
- Density
- 1.163 · 1.163±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C(protect from light)
- form
- powder
- pka
- 14.76 · 14.76±0.70(Predicted)
- color
- Light brown
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 271 · P271-P261-P280
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
- HazardClass
- IRRITANT
- HS Code
- 2924297099 · 2924297099
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2924297099
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36/37/39
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P271-P261-P280
Chemistry & industry
Suppliers14 total
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
北京六合宁远医药科技股份有限公司010-60400365-8001 15910885229 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
重庆卡兰医药有限公司[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]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
3 records
Compound notes
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