3-methylbutyl 2-{[2-(diethylamino)ethyl]amino}-2-phenylacetate dihydrochloride

• ChemBase ID: 90420
• Molecular Formular: C19H34Cl2N2O2
• Molecular Mass: 393.39146
• Monoisotopic Mass: 392.1997337
• SMILES: N(C(c1ccccc1)C(=O)OCCC(C)C)CCN(CC)CC.Cl.Cl
• Canonical SMILES: CCN(CCNC(c1ccccc1)C(=O)OCCC(C)C)CC.Cl.Cl
• InChI: InChI=1S/C19H32N2O2.2ClH/c1-5-21(6-2)14-13-20-18(17-10-8-7-9-11-17)19(22)23-15-12-16(3)4;;/h7-11,16,18,20H,5-6,12-15H2,1-4H3;2*1H
• InChIKey: ZHRVNCCPAKIGRH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methylbutyl 2-{[2-(diethylamino)ethyl]amino}-2-phenylacetate dihydrochloride
• IUPAC Traditional name: adopon dihydrochloride; camylofin dihydrochloride
• Synonyms: Camylofine Chlorhydrate; camylofine chlorhydrate; Camylofine dihydrochloride; Camylofine dihydrochloride; 3-Methylbutyl {[2-(diethylamino)ethyl]amino}(phenyl)acetate dihydrochloride; α-([二乙氨乙基]氨基)苯乙酸异戊酯; 卡米罗芬 二盐酸盐

Database IDs

• CAS Number: 54-30-8; 5892-41-1
• EC Number: 200-202-0
• MDL Number: MFCD00079040
• PubChem SID: 162077230; 24892711
• PubChem CID: 23724817

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.4266134
• LogD (pH = 7.4): 1.9237503
• Log P: 3.7106068
• Molar Refractivity: 95.8435 cm^3
• Polarizability: 38.100716 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful
• RTECS: MB9625000
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22
• Safety Statements: 36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Pharmacology Properties

• Target: Others

Product Information

• Grade: analytical standard, for drug analysis
• Salt Data: chlorhydrate