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CAS No.: | 74494-52-3 |
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Name: | 3-PIPERIDINE ACETIC ACID |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C7H13NO2 |
Molecular Weight: | 143.186 |
Synonyms: | (Piperidin-3-yl)aceticacid;NSC 138735;3-piperidine acetic acid;Piperidin-3-ylacetic acid;Piperidin-3-yl-acetic acid; |
Density: | 1.063 g/cm3 |
Melting Point: | 276-278 °C |
Boiling Point: | 286.8 °C at 760 mmHg |
Flash Point: | 127.3 °C |
PSA: | 49.33000 |
LogP: | 0.78950 |
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The 3-Piperidineacetic acid, with the CAS registry number 74494-52-3, has the systematic name of piperidin-3-ylacetic acid. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C7H13NO2.
The characteristics of 3-Piperidineacetic acid are as followings: (1)ACD/LogP: 0.15; (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; (7)#H bond acceptors: 3; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 29.54 Å2; (11)Index of Refraction: 1.465; (12)Molar Refractivity: 37.29 cm3; (13)Molar Volume: 134.6 cm3; (14)Polarizability: 14.78×10-24cm3; (15)Surface Tension: 40.1 dyne/cm; (16)Density: 1.063 g/cm3; (17)Flash Point: 127.3 °C; (18)Enthalpy of Vaporization: 57.87 kJ/mol; (19)Boiling Point: 286.8 °C at 760 mmHg; (20)Vapour Pressure: 0.000659 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)CC1CCCNC1
(2)InChI: InChI=1/C7H13NO2/c9-7(10)4-6-2-1-3-8-5-6/h6,8H,1-5H2,(H,9,10)
(3)InChIKey: WKXRHAACRPUBIC-UHFFFAOYAB