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CAS No.: | 144539-77-5 |
---|---|
Name: | ((S)-piperidin-3-yl)methanol |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C6H13NO |
Molecular Weight: | 115.175 |
Synonyms: | (S)-3-Hydroxymethylpiperidine;3-Piperidinemethanol,(S)-; |
Density: | 0.951 g/cm3 |
Boiling Point: | 240.4 °C at 760 mmHg |
Flash Point: | 92.3 °C |
PSA: | 32.26000 |
LogP: | 0.30710 |
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This chemical is called 3-Piperidinemethanol, (3S)-, and its systematic name is (3S)-piperidin-3-ylmethanol. With the molecular formula of C6H13NO, its molecular weight is 115.17. The CAS registry number of this chemical is 144539-77-5.
Other characteristics of the 3-Piperidinemethanol, (3S)- can be summarised as followings: (1)ACD/LogP: -0.28; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 12.47 Å2; (7)Index of Refraction: 1.451; (8)Molar Refractivity: 32.63 cm3; (9)Molar Volume: 121 cm3; (10)Polarizability: 12.93×10-24cm3; (11)Surface Tension: 34.8 dyne/cm; (12)Density: 0.951 g/cm3; (13)Flash Point: 92.3 °C; (14)Enthalpy of Vaporization: 55.47 kJ/mol; (15)Boiling Point: 240.4 °C at 760 mmHg; (16)Vapour Pressure: 0.00664 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: OC[C@H]1CCCNC1
2.InChI: InChI=1/C6H13NO/c8-5-6-2-1-3-7-4-6/h6-8H,1-5H2/t6-/m0/s1
3.InChIKey: VUNPWIPIOOMCPT-LURJTMIEBW