Basic information
- Standard SMILES
CN(CCO)c1ccccc1- InChIKey
VIIZJXNVVJKISZ-UHFFFAOYSA-N- Molecular formula
- C9H13NO
- Average molar mass
- 151.21 g/mol
- Monoisotopic mass
- 151.09971404
Names & identifiers
- Preferred name
- 2-(N-Methylanilino)ethanol
- IUPAC
- 2-(N-methylanilino)ethanol
- English name
- N-(2-Hydroxyethyl)-N-methylaniline
- Molecular formula
- C9H13NO
- Molecular weight
- 151.21
Names & synonyms
93-90-32-(N-Methylanilino)ethanol2-(Methylphenylamino)ethanolETHANOL, 2-(METHYLPHENYLAMINO)-PhenylmethylethanolaminePhenylmethyl ethanol amineN-Methyl-N-hydroxyethylanilineN-Hydroxyethyl-N-methylanilineEINECS 202-285-9UNII-48PV5540EOBRN 2803140DTXSID9059094
Show more names
TIMTEC-BB SBB007818N-(2-Hydroxyethyl)-N2-(Methylanilino)ethanolN-Methyl-N-hydroxyaniline2-(N-Methylaniline)ethanol2-(n-methylanilino)-ethanoN-METHYL-N-2-ETHANOLANILINE
AI3-23878N-Methyl-N-(hydroxyethyl)aniline48PV5540EONSC-9274N-Methyl-N-.beta.-hydroxyethylanilinen-phenyl-n-methyl-ethanolamine2(N-Methyl-N-phenyl amino)ethanol4-12-00-00280 (Beilstein Handbook Reference)
Database identifiers
- CAS
93-90-3- PubChem CID
- 62340
- DTXSID
DTXSID9059094- UNII
- 48PV5540EO
- EC Number
- 202-285-9
- Nikkaji
- J53.965A
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 99.7
Physicochemical properties
- Melting point
- 77 °C · 77 °C
- Boiling point
- 229 °C · 229 °C (lit.)
- Density
- 1.06 g/mL · 1.06 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.573(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- form
- clear liquid
- pka
- 14.79 · 14.79±0.10(Predicted)
- Specific Gravity
- 1.071 · 1.071.060
- color
- Light yellow to Brown
- InChI
- InChI=1S/C9H13NO/c1-10(7-8-11)9-5-3-2-4-6-9/h2-6,11H,7-8H2,1H3
- InChIKey
- VIIZJXNVVJKISZ-UHFFFAOYSA-N
- SMILES
- C(O)CN(C)C1=CC=CC=C1
- CAS DataBase Reference
- 93 · 93-90-3(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 48 PV5540EO · 48PV5540EO
- NIST Chemistry Reference
- N-(2-Hydroxyethyl)-N-methylaniline(93-90-3)
- EPA Substance Registry System
- 2 · Ethanol, 2-(methylphenylamino)- (93-90-3)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 2 · 2
- RTECS
- 7175000 · KL7175000
- TSCA
- TSCA listed
- HS Code
- 29221990 · 29221990
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
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)
Aggregated GHS information provided per 144 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationChemical: Ethanol, 2-(methylphenylamino)-
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- KL7175000
- hs_code
- 29221990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 10 - Combustible liquids
- 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
Uses & manufacturing
General Manufacturing InformationEthanol, 2-(methylphenylamino)-: ACTIVE
Applications
UsesOctaacetyl-β-maltose is used to prepare self-reproducing micelles in the preparation of triazole-containing disaccharides. It has also been used as a reactant in the synthesis of neoglycoconjugates through glycosyl aldehydes featuring bioorthogonal oxime bond formation.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
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毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
武汉绿景丰华生物科技有限公司19972070065 · [email protected]
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TCI AMERICA800-4238616 · [email protected]
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湖北巨胜科技有限公司027-59599241 18871490274 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
九鼎化学(上海)科技有限公司4009209199 · [email protected]
Henan Alfa Chemical Co., Ltd+8618339805032 · [email protected]
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Alfa Chemistry+1-5166625404 · [email protected]
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Related reactions
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