Name: 4-OXO-4-(3-PYRIDYLAMINO)BUTANOIC ACID
SKU: 25604-13-1

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Basic Information

Molecular Structure:
CAS No.:	25604-13-1
Name:	4-OXO-4-(3-PYRIDYLAMINO)BUTANOIC ACID
Article Data:	5

Formula:	C₉H₁₀N₂O₃
Molecular Weight:	194.19
Synonyms:	Succinamicacid, N-3-pyridyl- (8CI);4-Oxo-4-[N-(pyridin-3-yl)amino]butanoic acid;N-(3-Pyridyl)succinamic acid;N-Pyridin-3-ylsuccinamic acid;
Density:	1.354 g/cm³
Boiling Point:	487.3 °C at 760 mmHg
Flash Point:	248.5 °C
PSA:	79.29000
LogP:	0.95790

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Specification

The 4-Oxo-4-(3-pyridylamino)butyric acid, with CAS registry number 25604-13-1, belongs to the following product categories: Heterocyclic Compounds. It has the systematic name of 4-oxo-4-(pyridin-3-ylamino)butanoic acid. And the chemical formula of this chemical is C₉H₁₀N₂O₃.

Physical properties of 4-Oxo-4-(3-pyridylamino)butyric acid: (1)ACD/LogP: 0.07; (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): 1.54; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 5; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 59.5 Å²; (11)Index of Refraction: 1.605; (12)Molar Refractivity: 49.44 cm³; (13)Molar Volume: 143.3 cm³; (14)Polarizability: 19.6×10^-24cm³; (15)Surface Tension: 64.6 dyne/cm; (16)Enthalpy of Vaporization: 79.33 kJ/mol; (17)Vapour Pressure: 2.6E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Nc1cccnc1)CCC(=O)O
(2)InChI: InChI=1/C9H10N2O3/c12-8(3-4-9(13)14)11-7-2-1-5-10-6-7/h1-2,5-6H,3-4H2,(H,11,12)(H,13,14)
(3)InChIKey: CRCDHMGBWOILNF-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C9H10N2O3/c12-8(3-4-9(13)14)11-7-2-1-5-10-6-7/h1-2,5-6H,3-4H2,(H,11,12)(H,13,14)
(5)Std. InChIKey: CRCDHMGBWOILNF-UHFFFAOYSA-N