3-Piperidineacetic acid supplier

Name
3-PIPERIDINE ACETIC ACID
EINECS
CAS No. 74494-52-3
Article Data1
CAS DataBase
Density 1.063 g/cm³
Solubility
Melting Point 276-278 °C
Formula C₇H₁₃NO₂
Boiling Point 286.8 °C at 760 mmHg
Molecular Weight 143.186
Flash Point 127.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (Piperidin-3-yl)aceticacid;NSC 138735;3-piperidine acetic acid;Piperidin-3-ylacetic acid;Piperidin-3-yl-acetic acid;
PSA 49.33000
LogP 0.78950

3-Piperidineacetic acid Specification

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

Product Name

3-PIPERIDINE ACETIC ACID

3-Piperidineacetic acid Specification

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