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3-Piperidinepropanol (25175-58-0)

Identification
Name:3-Piperidinepropanol
Synonyms:3-Piperidine-3-ylpropan-1-ol;
CAS:25175-58-0
Molecular Formula: C8H17 N O
Molecular Weight: 143.23
InChI: InChI=1/C8H17NO/c10-6-2-4-8-3-1-5-9-7-8/h8-10H,1-7H2
Molecular Structure: (C8H17NO) 3-Piperidine-3-ylpropan-1-ol;
Properties
Flash Point: 90.2°C
Boiling Point: 235.5°C at 760 mmHg
Density:0.929g/cm3
Refractive index:1.456
Specification:

The systematic name of 3-Piperidine-3-ylpropan-1-ol is 3-piperidin-3-ylpropan-1-ol. With the CAS registry number 25175-58-0, it is also named as 3-Piperidinepropanol. The product's molecular formula is C8H17NO and its molecular weight is 143.23. 

The other characteristics of 3-Piperidine-3-ylpropan-1-ol can be summarized as: (1)ACD/LogP: 0.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.62; (4)ACD/LogD (pH 7.4): -2.54; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)H bond acceptors: 2; (10)H bond donors: 2; (11)Freely Rotating Bonds: 4; (12)Polar Surface Area: 12.47 Å2; (13)Index of Refraction: 1.456; (14)Molar Refractivity: 41.9 cm3; (15)Molar Volume: 154 cm3; (16)Polarizability: 16.61×10-24cm3; (17)Surface Tension: 34.5 dyne/cm; (18)Density: 0.929 g/cm3; (19)Flash Point: 90.2 °C; (20)Enthalpy of Vaporization: 54.89 kJ/mol; (21)Boiling Point: 235.5 °C at 760 mmHg; (22)Vapour Pressure: 0.0091 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:OCCCC1CCCNC1
(2)InChI:InChI=1/C8H17NO/c10-6-2-4-8-3-1-5-9-7-8/h8-10H,1-7H2
(3)InChIKey:CHCGEJVYCWSXML-UHFFFAOYAM
(4)Std. InChI:InChI=1S/C8H17NO/c10-6-2-4-8-3-1-5-9-7-8/h8-10H,1-7H2
(5)Std. InChIKey:CHCGEJVYCWSXML-UHFFFAOYSA-N

Flash Point: 90.2°C
Safety Data
 

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