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2-Piperidinecarboxylicacid, 2-methyl-

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Name

2-Piperidinecarboxylicacid, 2-methyl-

EINECS N/A
CAS No. 72518-41-3 Density 1.075 g/cm3
PSA 49.33000 LogP 0.93200
Solubility N/A Melting Point 340℃
Formula C7H13NO2 Boiling Point 259.5 °C at 760 mmHg
Molecular Weight 143.18 Flash Point 110.7 °C
Transport Information N/A Appearance N/A
Safety Risk Codes 22
Molecular Structure Molecular Structure of 72518-41-3 (2-METHYL-2-PIPERIDINE CARBOXYLIC ACID) Hazard Symbols Xn
Synonyms

2-Methyl-2-piperidinecarboxylicacid;2-Methylpiperidine-2-carboxylic acid;

Article Data 2

2-Piperidinecarboxylicacid, 2-methyl- Specification

The 2-Piperidinecarboxylicacid, 2-methyl-, with the CAS registry number 72518-41-3, is also known as 2-Methyl-2-piperidine carboxylic acid. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C7H13NO2 and molecular weight is 143.18. What's more, its systematic name is 2-Methylpiperidine-2-carboxylic acid.

Physical properties of 2-Piperidinecarboxylicacid, 2-methyl- are: (1)ACD/LogP: 0.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.96; (4)ACD/LogD (pH 7.4): -1.96; (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: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.469; (14)Molar Refractivity: 37.12 cm3; (15)Molar Volume: 133.1 cm3; (16)Polarizability: 14.71×10-24 cm3; (17)Surface Tension: 36.5 dyne/cm; (18)Density: 1.075 g/cm3; (19)Flash Point: 110.7 °C; (20)Enthalpy of Vaporization: 54.73 kJ/mol; (21)Boiling Point: 259.5 °C at 760 mmHg; (22)Vapour Pressure: 0.00388 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1(CCCCN1)C(=O)O
(2)InChI: InChI=1S/C7H13NO2/c1-7(6(9)10)4-2-3-5-8-7/h8H,2-5H2,1H3,(H,9,10)
(3)InChIKey: GLNOAERYNWZGJY-UHFFFAOYSA-N

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