[1-(2-methoxyphenyl)propan-2-yl](methyl)amine hydrochloride

• ChemBase ID: 104314
• Molecular Formular: C11H18ClNO
• Molecular Mass: 215.71972
• Monoisotopic Mass: 215.10769188
• SMILES: Cl.CNC(C)Cc1ccccc1OC
• Canonical SMILES: CNC(Cc1ccccc1OC)C.Cl
• InChI: InChI=1S/C11H17NO.ClH/c1-9(12-2)8-10-6-4-5-7-11(10)13-3;/h4-7,9,12H,8H2,1-3H3;1H
• InChIKey: FGSJNNQVSUVTPW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(2-methoxyphenyl)propan-2-yl](methyl)amine hydrochloride
• IUPAC Traditional name: methoxyphenamine hydrochloride
• Synonyms: 2-Methoxy-N,α-dimethylbenzeneethanamine hydrochloride; NSC 65644; Methoxyphenamine hydrochloride; [1-(2-methoxyphenyl)propan-2-yl](methyl)amine hydrochloride; METHOXYPHENAMINE; 甲氧那明 盐酸盐

Database IDs

• CAS Number: 5588-10-3
• EC Number: 226-993-2
• MDL Number: MFCD00034832
• PubChem SID: 24896679; 162091561
• PubChem CID: 9859211

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.1417725
• LogD (pH = 7.4): -0.46881613
• Log P: 2.0791595
• Molar Refractivity: 54.943 cm^3
• Polarizability: 21.683111 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 129°C
• Hydrophobicity(logP): 1.807

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: SH8050000
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22; R:22
• Safety Statements: 36; S:36/37/39
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥99%; 95%

DETAILS

MP Biomedicals - 02155429

Hydrochloride

Sigma Aldrich - M1641

包装
5 g in glass bottle