CAS No.7037-30-1,3-(1-METHYL-PIPERIDIN-4-YL)-PROPAN-1-OL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	7037-30-1
Name:	3-(1-METHYL-PIPERIDIN-4-YL)-PROPAN-1-OL

Formula:	C₉H₁₉NO
Molecular Weight:	157.256
Synonyms:	1-Methyl-4-piperidinepropanol;3-(1-Methyl-4-piperidinyl)propanol;3-(1-Methylpiperidin-4-yl)propan-1-ol;
Density:	0.941g/cm³
Boiling Point:	222.928 °C at 760 mmHg
Flash Point:	81.387 °C
PSA:	23.47000
LogP:	1.03860

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Specification

The 4-Piperidinepropanol,1-methyl-, with CAS registry number 7037-30-1, has the systematic name of 1-(1-methyl-4-piperidyl)propan-1-ol. Besides this, it is also called 3-(1-Methyl-piperidin-4-yl)-propan-1-ol. And the chemical formula of this chemical is C₉H₁₉NO.

Physical properties of 4-Piperidinepropanol,1-methyl-: (1)ACD/LogP: 1.08; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1.259; (7)#H bond acceptors: 2; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 23.47 Å²; (11)Index of Refraction: 1.471; (12)Molar Refractivity: 46.733 cm³; (13)Molar Volume: 167.124 cm³; (14)Polarizability: 18.526×10^-24cm³; (15)Surface Tension: 32.869 dyne/cm; (16)Density: 0.941 g/cm³; (17)Flash Point: 81.387 °C; (18)Enthalpy of Vaporization: 53.417 kJ/mol; (19)Boiling Point: 222.928 °C at 760 mmHg; (20)Vapour Pressure: 0.02 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCC(C1CCN(CC1)C)O
(2)InChI: InChI=1/C9H19NO/c1-3-9(11)8-4-6-10(2)7-5-8/h8-9,11H,3-7H2,1-2H3
(3)InChIKey: SISYAXXMXROTMV-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C9H19NO/c1-3-9(11)8-4-6-10(2)7-5-8/h8-9,11H,3-7H2,1-2H3
(5)Std. InChIKey: SISYAXXMXROTMV-UHFFFAOYSA-N