2-(4-methoxyphenyl)ethan-1-amine

• ChemBase ID: 102605
• Molecular Formular: C9H13NO
• Molecular Mass: 151.20562
• Monoisotopic Mass: 151.09971404
• SMILES: COc1ccc(CCN)cc1
• Canonical SMILES: NCCc1ccc(cc1)OC
• InChI: InChI=1S/C9H13NO/c1-11-9-4-2-8(3-5-9)6-7-10/h2-5H,6-7,10H2,1H3
• InChIKey: LTPVSOCPYWDIFU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-methoxyphenyl)ethan-1-amine
• IUPAC Traditional name: 4-methoxyphenethylamine
• Synonyms: 2-(4-Methoxyphenyl)ethylamine; 4-Methoxyphenethylamine; p-METHOXYPHENYLETHYLAMINE; 4-Methoxyphenethylamine; 2-(4-methoxyphenyl)ethanamine; 2(P-METHOXYPHENYL)ETHYLAMINE; 2-(4-Methoxyphenyl)ethylamine; 2-(4-甲氧苯基)乙胺; 4-甲氧基苯乙胺; 2-(4-甲氧苯基)乙胺

Database IDs

• CAS Number: 55-81-2
• EC Number: 200-245-5
• MDL Number: MFCD00008192
• Beilstein Number: 508967
• PubChem SID: 24851266; 162088158; 24883850
• PubChem CID: 4657

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.7812324
• LogD (pH = 7.4): -1.0964686
• Log P: 1.2300042
• Molar Refractivity: 45.7496 cm^3
• Polarizability: 17.989607 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: light yellow
• Boiling Point: 138-140 °C/20 mmHg(lit.); 254-256 °C
• Flash Point: 110 °C; 230 °F
• Density: 1.031 g/mL at 20 °C(lit.)
• Refractive Index: n20/D 1.538; n20/D 1.538(lit.)

Safety Information

• Storage Condition: 2-8°C
• RTECS: SH7875000
• European Hazard Symbols: Corrosive (C)
• UN Number: 2735
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314
• GHS Precautionary statements: 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
• Drug Control: Home Office Schedule 1
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥98%; ≥95.0% (GC); ≥98%
• Grade: purum
• Linear Formula: CH3OC6H4CH2CH2NH2
• Classification: Genuine Natural Compounds

DETAILS

MP Biomedicals - 02102305

Light yellow liquid
Purity: 98+%

MP Biomedicals - 05204628

MP Biomedicals Rare Chemical collection

Sigma Aldrich - M3376

Biochem/physiol Actions
酪胺代谢物

Sigma Aldrich - 187305

Packaging
25, 100 g in glass bottle

Sigma Aldrich - 65165

Other Notes
Sales restrictions may apply