2-Methyl-N-ethyl-N-(2-cyanoethyl)-4-aminobenzaldehyde - CAS 119-97-1
Catalog: |
BB004691 |
Product Name: |
2-Methyl-N-ethyl-N-(2-cyanoethyl)-4-aminobenzaldehyde |
CAS: |
119-97-1 |
Synonyms: |
3-(N-ethyl-4-formyl-3-methylanilino)propanenitrile |
IUPAC Name: | 3-(N-ethyl-4-formyl-3-methylanilino)propanenitrile |
Description: | 2-Methyl-N-ethyl-N-(2-cyanoethyl)-4-aminobenzaldehyde (CAS# 119-97-1 ) is a useful research chemical. |
Molecular Weight: | 216.28 |
Molecular Formula: | C13H16N2O |
Canonical SMILES: | CCN(CCC#N)C1=CC(=C(C=C1)C=O)C |
InChI: | InChI=1S/C13H16N2O/c1-3-15(8-4-7-14)13-6-5-12(10-16)11(2)9-13/h5-6,9-10H,3-4,8H2,1-2H3 |
InChI Key: | VTXVKMVZEXXUIC-UHFFFAOYSA-N |
Boiling Point: | 418 °C at 760 mmHg |
Melting Point: | 64-67 °C |
Purity: | 95 % |
Density: | 1.09 g/cm3 |
Appearance: | Solid |
Storage: | Sealed in dry, 2-8 °C |
MDL: | MFCD02683509 |
LogP: | 2.54748 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2009111962-A1 | Palladium Complexes and Polymerization and Coupling Processes Thereof | 20071025 |
US-8436197-B2 | Palladium complexes and polymerization and coupling processes thereof | 20071025 |
JP-H07166079-A | Cationic dye and method for dyeing substrate using the same | 19931213 |
EP-0074569-A2 | Cationic methine dyes, process for their preparation and their use, in dyeing textile materials and other substrates | 19810915 |
US-4513142-A | Preparation of cationic methine dyestuffs | 19810915 |
Complexity: | 268 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 216.126263138 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 216.126263138 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 44.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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