(4-methylphenyl)methanamine

• ChemBase ID: 69828
• Molecular Formular: C8H11N
• Molecular Mass: 121.17964
• Monoisotopic Mass: 121.08914936
• SMILES: NCc1ccc(cc1)C
• Canonical SMILES: NCc1ccc(cc1)C
• InChI: InChI=1S/C8H11N/c1-7-2-4-8(6-9)5-3-7/h2-5H,6,9H2,1H3
• InChIKey: HMTSWYPNXFHGEP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-methylphenyl)methanamine
• IUPAC Traditional name: benzenemethanamine, 4-methyl-
• Synonyms: p-Xylylamine; 4-Methylbenzylamine; 4-Methylbenzylamine; ((4-Methylphenyl)methyl)amine; (4-Methylphenyl)methanamine; NSC 66562; p-Methylbenzylamine; p-Methylbenzenemethanamine; p-Tolylmethanamine; 对甲苄胺; 对甲基苄胺; 4-甲基苄胺

Database IDs

• CAS Number: 104-84-7
• EC Number: 203-243-2
• MDL Number: MFCD00008123
• Beilstein Number: 956670
• PubChem SID: 24896794; 162035553
• PubChem CID: 66035

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.3805113
• LogD (pH = 7.4): -0.48397714
• Log P: 1.6124357
• Molar Refractivity: 39.5726 cm^3
• Polarizability: 15.514652 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 12-13 °C(lit.); 12-13°C; 12-13°C
• Boiling Point: 195 °C(lit.); 195-197°C; 196-197°C
• Flash Point: 176 °F; 75°C; 75°C(167°F); 80 °C
• Density: 0.952 g/mL at 25 °C(lit.); 0.955
• Refractive Index: 1.535; 1.5350; n20/D 1.534(lit.); n20/D 1.536
• Transition Temperature: solidification point 12-15 °C(lit.)

Safety Information

• Storage Warning: Air Sensitive; Corrosive/Air Sensitive/Store under Argon; IRRITANT
• European Hazard Symbols: Corrosive (C)
• UN Number: 2735; UN2735
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2; III
• Risk Statements: 34
• Safety Statements: 20-26-36/37/39-45-60; 26-36/37/39-45
• TSCA Listed: false; 是
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314; H314-H318-H227
• GHS Precautionary statements: P210-P260-P303+P361+P353-P305+P351+P338-P405-P501A; P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2735 8/PG 2

Product Information

• Purity: ≥97.0% (GC); 95%; 95+%; 97%; 98%
• Grade: purum
• Linear Formula: CH3C6H4CH2NH2

DETAILS

Sigma Aldrich - M31201

Packaging
25, 100 g in glass bottle

Toronto Research Chemicals - M289015

4-Methylbenzylamine is a methylated benzylamine used in the preparation of various bioactive compounds such as anticonvulsants. 4-Methylbenzylamine has been shown to stimulate food consumption and counteract the hypophagic effects of amphetamine acting on

REFERENCES

• Pirisino, R. et al.: Br. J. Pharmacol., 147, 218 (2006)
• Raimondi, L. et al.: Inflammopharmacology, 11, 189 (2006)
• Obniska, J. et al.: Farmaco, 60, 529 (2006)