(+)-(3S,4S)-3,4-Dimethyl-4-(3-hydroxyphenyl)piperidine supplier

Name
(+)-(3R,4S)-3,4-DIMETHYL-4-(3-HYDROXYPHENYL)PIPERIDINE
EINECS
CAS No. 145678-87-1
Article Data2
CAS DataBase
Density 1.009 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₉NO
Boiling Point 335.464 °C at 760 mmHg
Molecular Weight 205.30
Flash Point 115.716 °C
Transport Information
Appearance
Safety
Risk Codes Xi:Irritant;
Molecular Structure
Hazard Symbols Xi
Synonyms Phenol,3-(3,4-dimethyl-4-piperidinyl)-, (3S-cis)-;
PSA 32.26000
LogP 2.60810

(+)-(3S,4S)-3,4-Dimethyl-4-(3-hydroxyphenyl)piperidine Specification

(+)-(3S,4S)-3,4-Dimethyl-4-(3-hydroxyphenyl)piperidine, with the CAS registry number 145678-87-1, is also named as Phenol,3-(3,4-dimethyl-4-piperidinyl)-, (3S-cis)-. This chemical's molecular formula is C₁₃H₁₉NO and molecular weight is 205.30. What's more, its systematic name is 3-[(3S,4S)-3,4-Dimethyl-4-piperidinyl]phenol.

Physical properties of (+)-(3S,4S)-3,4-Dimethyl-4-(3-hydroxyphenyl)piperidine are: (1)ACD/LogP: 2.686; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.41; (4)ACD/LogD (pH 7.4): -0.10; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.14; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 32.26 Å²; (13)Index of Refraction: 1.521; (14)Molar Refractivity: 62.054 cm³; (15)Molar Volume: 203.515 cm³; (16)Polarizability: 24.6×10^-24cm³; (17)Surface Tension: 37.8 dyne/cm; (18)Density: 1.009 g/cm³; (19)Flash Point: 115.716 °C; (20)Enthalpy of Vaporization: 60.146 kJ/mol; (21)Boiling Point: 335.464 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Oc1cccc(c1)[C@@]2(C)CCNC[C@H]2C
(2)Std. InChI: InChI=1S/C13H19NO/c1-10-9-14-7-6-13(10,2)11-4-3-5-12(15)8-11/h3-5,8,10,14-15H,6-7,9H2,1-2H3/t10-,13+/m1/s1
(3)Std. InChIKey: HXZDAOSDNCHKFE-MFKMUULPSA-N

Product Name

(+)-(3R,4S)-3,4-DIMETHYL-4-(3-HYDROXYPHENYL)PIPERIDINE

(+)-(3S,4S)-3,4-Dimethyl-4-(3-hydroxyphenyl)piperidine Specification

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