Pikamilon sodium supplier | CasNO.62936-56-5

Name
4-[(3-Pyridinylcarbonyl)amino]-butanoic acid monosodium salt
EINECS 1308068-626-2
CAS No. 62936-56-5
Density
Solubility
Melting Point
Formula C₁₀H₁₂N₂NaO₃
Boiling Point 522.4 °C at 760 mmHg
Molecular Weight 230.19 .
Flash Point 269.8 °C
Transport Information
Appearance white to off-white crystalline powder
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Butanoicacid, 4-[(3-pyridinylcarbonyl)amino]-, monosodium salt (9CI);Nicotinoyl-GABA sodiumsalt;Picamilon;Sodium N-nicotinoyl-g-aminobutyrate;
PSA 82.12000
LogP -0.26760

Pikamilon sodium Specification

The Butanoic acid,4-[(3-pyridinylcarbonyl)amino]-, sodium salt (1:1) with the CAS number 62936-56-5 is also called Sodium N-nicotinoyl-g-aminobutyrate. Both the systematic name and IUPAC name are sodium 4-(pyridine-3-carbonylamino)butanoate. Its molecular formula is C₁₀H₁₂N₂NaO₃. This chemical belongs to the following product categories: (1)Heterocyclic Series; (2)Pyridines.

The properties of the Butanoic acid,4-[(3-pyridinylcarbonyl)amino]-, sodium salt (1:1) are: (1)ACD/LogP: 0.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.92; (4)ACD/LogD (pH 7.4): -2.72; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.78; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 70.5 Å²; (13)Enthalpy of Vaporization: 83.78 kJ/mol; (14)Vapour Pressure: 9.65×10^-12 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].O=C(NCCCC([O-])=O)c1cccnc1
(2)InChI: InChI=1/C10H12N2O3.Na/c13-9(14)4-2-6-12-10(15)8-3-1-5-11-7-8;/h1,3,5,7H,2,4,6H2,(H,12,15)(H,13,14);/q;+1/p-1
(3)InChIKey: DGWZSECHAXUHPD-REWHXWOFAS

Product Name

4-[(3-Pyridinylcarbonyl)amino]-butanoic acid monosodium salt

Pikamilon sodium Specification

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