Molecule structure of Cyclohexanol, 2-(dimethylaminomethyl)-1-(m-methoxyphenyl)-, (+)-(E)- (CAS NO.123154-38-1) :
IUPAC Name: 2-(dimethylaminomethyl)-1-(3-methoxyphenyl)cyclohexan-1-ol
Molecular Weight: 263.3752 g/mol
Molecular Formula: C16H25NO2
Density: 1.047 g/cm3
Boiling Point: 388.1 °C at 760 mmHg
Flash Point: 188.5 °C
Index of Refraction: 1.532
Molar Refractivity: 77.96 cm3
Molar Volume: 251.3 cm3
Polarizability: 30.9×10-24 cm3
Surface Tension: 39.6 dyne/cm
Enthalpy of Vaporization: 67.22 kJ/mol
log P (octanol-water): 2.63
Water Solubility: 1150 mg/L
Vapor Pressure: 4.57E-07 mm Hg
Henry's Law Constant: 1.54E-11 atm-m3/mole
Atmospheric OH Rate Constant: 1.47E-10 cm3/molecule-sec
XLogP3: 2.6
H-Bond Donor: 1
H-Bond Acceptor: 3
Rotatable Bond Count: 4
Exact Mass: 263.188529
MonoIsotopic Mass: 263.188529
Topological Polar Surface Area: 32.7
Heavy Atom Count: 19
Complexity: 282
Canonical SMILES: CN(C)CC1CCCCC1(C2=CC(=CC=C2)OC)O
InChI: InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3
InChIKey of Cyclohexanol, 2-(dimethylaminomethyl)-1-(m-methoxyphenyl)-, (+)-(E)- (CAS NO.123154-38-1) : TVYLLZQTGLZFBW-UHFFFAOYSA-N
1. | scu-mus LD50:198 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 28 (1978),114. | ||
2. | ivn-mus LD50:47 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 28 (1978),114. |
Poison by subcutaneous and intravenous routes. When heated to decomposition it emits toxic fumes of NOx.
Cyclohexanol, 2-(dimethylaminomethyl)-1-(m-methoxyphenyl)-, (+)-(E)- (CAS NO.123154-38-1) is also called (+)-trans-2-(Dimethylaminomethyl)-1-(m-methoxyphenyl)cyclohexanol ; E 382 ; Cyclohexanol-2-((dimethylamino)methyl)-1-(3-methoxyphenyl)-, trans-(+-)- (9CI) .
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