CAS No.93413-61-7,1-[2-Amino-1-(4-benzyloxyphenyl)-ethyl]-cyclohexanol Suppliers

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Basic Information

Molecular Structure:
CAS No.:	93413-61-7
Name:	1-[2-Amino-1-(4-benzyloxyphenyl)-ethyl]-cyclohexanol
Article Data:	4

Formula:	C₂₃H₃₁NO₂
Molecular Weight:	353.505
Synonyms:	1-[1-(4-Benzyloxyphenyl)-2-(dimethylamino)ethyl]cyclohexanol;
Density:	1.096 g/cm³
Boiling Point:	493.9 °C at 760 mmHg
Flash Point:	252.5 °C
PSA:	32.70000
LogP:	4.60600

Raw Materials

68641-16-7

919475-15-3

50-00-0

6547-53-1

108-94-1

111-24-0

Downstream Products

93413-62-8

Total:40 Page 1 of 2 1 2 Next>>

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Specification

The systematic name of this chemical is 1-{1-[4-(benzyloxy)phenyl]-2-(dimethylamino)ethyl}cyclohexanol. With the CAS registry number 93413-61-7, it is also named as 1-[2-Amino-1-(4-benzyloxyphenyl)-ethyl]-cyclohexanol. The product's category is Medicine Intermediate.

The other characteristics of 1-[1-(4-Benzyloxyphenyl)-2-(dimethylamino)ethyl]cyclohexanol can be summarized as: (1)ACD/LogP: 4.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.57; (4)ACD/LogD (pH 7.4): 2.82; (5)ACD/BCF (pH 5.5): 1.76; (6)ACD/BCF (pH 7.4): 31.02; (7)ACD/KOC (pH 5.5): 7.36; (8)ACD/KOC (pH 7.4): 129.47; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 32.7 Å²; (13)Index of Refraction: 1.578; (14)Molar Refractivity: 107.12 cm³; (15)Molar Volume: 322.3 cm³; (16)Polarizability: 42.46×10^-24 cm³; (17)Surface Tension: 44.9 dyne/cm; (18)Density: 1.096 g/cm³; (19)Flash Point: 252.5 °C; (20)Enthalpy of Vaporization: 80.17 kJ/mol; (21)Boiling Point: 493.9 °C at 760 mmHg; (22)Vapour Pressure: 1.42E-10 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1. SMILES:OC1(CCCCC1)C(CN(C)C)c3ccc(OCc2ccccc2)cc3
2. InChI:InChI=1/C23H31NO2/c1-24(2)17-22(23(25)15-7-4-8-16-23)20-11-13-21(14-12-20)26-18-19-9-5-3-6-10-19/h3,5-6,9-14,22,25H,4,7-8,15-18H2,1-2H3
3. InChIKey:FSSWQHLSQWTHIB-UHFFFAOYAH
4. Std. InChI:InChI=1S/C23H31NO2/c1-24(2)17-22(23(25)15-7-4-8-16-23)20-11-13-21(14-12-20)26-18-19-9-5-3-6-10-19/h3,5-6,9-14,22,25H,4,7-8,15-18H2,1-2H3
5. Std. InChIKey:FSSWQHLSQWTHIB-UHFFFAOYSA-N