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| CAS No.: | 100442-33-9 |
|---|---|
| Name: | 2,N-Dimethyl-N-(3,3-diphenylpropyl)-1-amino-2-propanol |
| Molecular Structure: | |
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| Formula: | C20H27NO |
| Molecular Weight: | 297.44 |
| Synonyms: | 1-[(3,3-Diphenylpropyl)methylamino]-2-methyl-2-propanol; |
| EINECS: | 239-349-0 |
| Density: | 1.025 g/cm3 |
| Boiling Point: | 428.9 °C at 760 mmHg |
| Flash Point: | 164.7 °C |
| Appearance: | slightly brown liquid |
| PSA: | 23.47000 |
| LogP: | 3.91130 |
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Specification
The 2,N-Dimethyl-N-(3,3-diphenylpropyl)-1-amino-2-propanol, with CAS registry number 100442-33-9, belongs to the following product categories: (1)Chemical intermediate for Lercanidipine; (2)Amines; (3)(intermediate of lercanidipine); (4)Chemical Amines; (5)Intermediates & Fine Chemicals; (6)Pharmaceuticals; (7)Lercanidipine Hydrochloride. It has the systematic name of 1-[(3,3-diphenylpropyl)(methyl)amino]-2-methylpropan-2-ol. This chemical is a kind of slightly brown liquid. And the chemical formula of this chemical is C20H27NO.
Physical properties of 2,N-Dimethyl-N-(3,3-diphenylpropyl)-1-amino-2-propanol: (1)ACD/LogP: 4.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 2; (6)ACD/BCF (pH 7.4): 22; (7)ACD/KOC (pH 5.5): 7; (8)ACD/KOC (pH 7.4): 91; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 23.47 Å2; (13)Index of Refraction: 1.556; (14)Molar Refractivity: 93.222 cm3; (15)Molar Volume: 289.938 cm3; (16)Polarizability: 36.956×10-24cm3; (17)Surface Tension: 40.848 dyne/cm; (18)Density: 1.026 g/cm3; (19)Flash Point: 164.743 °C; (20)Enthalpy of Vaporization: 72.108 kJ/mol; (21)Boiling Point: 428.852 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OC(C)(C)CN(CCC(c1ccccc1)c2ccccc2)C
(2)InChI: InChI=1/C20H27NO/c1-20(2,22)16-21(3)15-14-19(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,19,22H,14-16H2,1-3H3
(3)InChIKey: MQWDISMNBYOLAB-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C20H27NO/c1-20(2,22)16-21(3)15-14-19(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,19,22H,14-16H2,1-3H3
(5)Std. InChIKey: MQWDISMNBYOLAB-UHFFFAOYSA-N