Basic information
- CAS
94-34-8- Standard SMILES
CN(CCC#N)c1ccccc1- InChIKey
IXXLKTZOCSRXEM-UHFFFAOYSA-N- Molecular formula
- C10H12N2
- Average molar mass
- 160.22 g/mol
- Monoisotopic mass
- 160.10004839
Names & identifiers
- Preferred name
- N-(2-Cyanoethyl)-N-methylaniline
- IUPAC
- 3-(N-methylanilino)propanenitrile
- English name
- N-(2-Cyanoethyl)-N-methylaniline
- Molecular formula
- C10H12N2
- Molecular weight
- 160.22
Names & synonyms
94-34-8N-(2-Cyanoethyl)-N-methylanilinePropanenitrile, 3-(methylphenylamino)-N-Methyl-N-(2-cyanoethyl)aniline3-(N-Methylanilino)propionitrile3-(N-Methylanilino)propiononitrileDTXSID6059102n,n-cyanoethyl-methylanilineBeta-(N-methylanilio)propionitrileRefChem:495670DTXCID7048900202-325-5
Show more names
N-Methyl-N-cyanoanilineN-Methyl-N-Cyanoethyl AnilineN-CYANOETHYL-N-METHYL ANILINEN-(B-CYANOETHYL)-N-METHYLANILINEN-METHYL-N-(B-CYANOETHYL)ANILINE
3-(Methyl(phenyl)amino)propanenitrile3-(N-methylanilino)propanenitrileN-Cyanoethyl-N-methylaniline3-[methyl(phenyl)amino]propanenitrile3-(methylphenylamino)propanenitrileMFCD00019856Propionitrile, 3-(N-methylanilino)-SCHEMBL149631
Database identifiers
- CAS
94-34-8- PubChem CID
- 66748
- DTXSID
DTXSID6059102- UNII
- 3KJ99Q6LX2
- EC Number
- 202-325-5
- Nikkaji
- J37.682E
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 27 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 162
Physicochemical properties
- Boiling point
- 313 °C · 313 °C(lit.)
- Density
- 1.035 g/mL · 1.035 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.56(lit.)
- Flash point
- 125 · 125-127°C/4mm
- storage temp.
- Inert atmosphere,Room Temperature
- form
- clear liquid
- pka
- 4.54 · 4.54±0.50(Predicted)
- color
- White to Yellow to Green
- Specific Gravity
- 1.05 · 1.05
- BRN
- 2803416 · 2803416
- CAS DataBase Reference
- 94 · 94-34-8(CAS DataBase Reference)
- EPA Substance Registry System
- 3 · Propanenitrile, 3-(methylphenylamino)- (94-34-8)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H302-H312
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
Warning
H302+H312 (88.1%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oral; acute toxicity, dermal]
P264, P270, P280, P301+P317, P302+P352, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 118 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationChemical: Propanenitrile, 3-(methylphenylamino)-
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29214300
- risk_code
- 20/21/22-36/37/38-21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-36-36/37
- packing_group
- III
- Hazard statements
- H302+H312+H332-H315-H319-H302-H312
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501-P280h
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPropanenitrile, 3-(methylphenylamino)-: ACTIVE
Applications
UsesN-(2-Cyanoethyl)-N-methylaniline is used as an intermediate for dyes and organic pigments, and can be used as an intermediate for dyes such as Acid Red 14 and Basic Orange 24.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers87 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Related reactions
2 records
Compound notes
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