ethyl(phenylmethylidene)amine

• ChemBase ID: 142856
• Molecular Formular: C9H11N
• Molecular Mass: 133.19034
• Monoisotopic Mass: 133.08914936
• SMILES: CC/N=C/c1ccccc1
• Canonical SMILES: CC/N=C/c1ccccc1
• InChI: InChI=1S/C9H11N/c1-2-10-8-9-6-4-3-5-7-9/h3-8H,2H2,1H3
• InChIKey: IIVYBNBDIDWPQV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl(phenylmethylidene)amine
• IUPAC Traditional name: ethyl(phenylmethylidene)amine
• Synonyms: N-(Phenylmethylidene)ethanamine; N-Ethylbenzylidenamine; N-Benzylideneethylamine; N-(苯亚甲基)乙胺; N-乙基苯亚甲胺; N-亚苄基乙胺

Database IDs

• CAS Number: 6852-54-6
• EC Number: 229-948-5
• MDL Number: MFCD00123315
• Beilstein Number: 1853511
• PubChem SID: 162237082
• PubChem CID: 111239

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.0031023475
• LogD (pH = 7.4): 1.7293565
• Log P: 2.2788937
• Molar Refractivity: 44.3444 cm^3
• Polarizability: 16.61471 Å^3
• Polar Surface Area: 12.36 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥97%; ≥97.0% (GC)
• Empirical Formula (Hill Notation): C9H11N

DETAILS

Sigma Aldrich - 711810

Packaging
5 g in glass bottle