Basic information
- CAS
92-64-8- Standard SMILES
N#CCCN(CCO)c1ccccc1- InChIKey
WZJJWQVBLSPALW-UHFFFAOYSA-N- Molecular formula
- C11H14N2O
- Average molar mass
- 190.24 g/mol
- Monoisotopic mass
- 190.11061307
Names & identifiers
- Preferred name
- Propanenitrile, 3-[(2-hydroxyethyl)phenylamino]-
- IUPAC
- 3-[N-(2-hydroxyethyl)anilino]propanenitrile
- English name
- N-Cyanoethyl-hydroxyethyl aniline
- Molecular formula
- C11H14N2O
- Molecular weight
- 190.25
Names & synonyms
92-64-8Propanenitrile, 3-[(2-hydroxyethyl)phenylamino]-Emery 5724Aniline, N-cyanoethyl-N-hydroxyethyl-3-(N-(2-Hydroxyethyl)anilino)propiononitrile3-[(2-HYDROXYETHYL)PHENYLAMINO]PROPANENITRILEEINECS 202-174-53-((2-Hydroxyethyl)phenylamino)propanenitrileN-2-Hydroxyethyl-N-2-kyanethylanilinN-Hydroxyethyl-N-beta-cyanoethylanilinePropionitrile, 3-(N-(2-hydroxyethyl)anilino)-BRN 2369849
Show more names
emery5724N-Cyanoethyl-hydroxyN-Cyano-N-hydroxyanilineN-Cyanoethyl-hydroxyethyl anili3-(2-ethoxyanilino)propionitrile3-(2-ethoxyanilino)propanenitrilen-cyanoethyl-hydroxyethyl anilineN-hydroxyethyl-N-cyanoethylanilineN-cynoethyl,N-Hydroxyethyl aniline
Propionitrile, 3-((2-hydroxyethyl)phenylamino)-N-beta-Cyanoethyl-N-beta-hydroxyethylanilineN-2-Hydroxyethyl-N-2-kyanethylanilin [Czech]Propanenitrile, 3-((2-hydroxyethyl)phenylamino)-N-beta-Hydroxyethyl-N-beta-kyanethylanilin [Czech]N-beta-Hydroxyethyl-N-beta-kyanethylanilinRefChem:869039202-174-5
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 47.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 191
Experimental & physicochemical properties
Collision Cross Section142.8 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID6052617]
Physicochemical properties
- Melting point
- 68 °C · 68 °C
- Boiling point
- 315 °C · 315 °C(lit.)
- Density
- 1.06 g/mL · 1.06 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.57(lit.)
- Flash point
- 107 · 107-110°C/15mm
- storage temp.
- Sealed in dry,Room Temperature
- form
- clear liquid
- pka
- 14.51 · 14.51±0.10(Predicted)
- color
- Colorless to Yellow to Green
- Water Solubility
- Not miscible or difficult to mix with water.
- BRN
- 2369849 · 2369849
- InChI
- InChI=1S/C11H14N2O/c12-7-4-8-13(9-10-14)11-5-2-1-3-6-11/h1-3,5-6,14H,4,8-10H2
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
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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- UG2905000
- hs_code
- 29269090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard statements
- H303-H315-H319
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPropanenitrile, 3-[(2-hydroxyethyl)phenylamino]-: ACTIVE
Applications
UsesN-(2-Cyanoethyl)-N-(2-hydroxyethyl)aniline is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff fields.
Upstream & downstream products
Downstream products
Suppliers100 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]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Related reactions
2 records
Compound notes
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