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23628-31-1

Basic Information
CAS No.: 23628-31-1
Name: 6-Aminopyridine-2-carboxylic acid
Article Data: 13
Molecular Structure:
Molecular Structure of 23628-31-1 (6-Aminopyridine-2-carboxylic acid)
Formula: C6H6N2O2
Molecular Weight: 138.126
Synonyms: Picolinicacid, 6-amino- (6CI,8CI);2-Amino-6-pyridinecarboxylic acid;6-Amino-2-pyridinecarboxylic acid;6-Aminopicolinic acid;NSC 522596;
EINECS: 642-727-1
Density: 1.417 g/cm3
Melting Point: 320 °C
Boiling Point: 387.8 °C at 760 mmHg
Flash Point: 188.3 °C
Solubility: Soluble in hot water.
Appearance: light yellow crystals
Hazard Symbols: IrritantXi,ToxicT
Risk Codes: 36/37/38-23/24/25
Safety: 26-36/37/39-45
PSA: 76.21000
LogP: 0.94320
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    6-Aminopyridine-2-carboxylic acid

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Specification

The IUPAC name of 6-Aminopyridine-2-carboxylic acid is 6-aminopyridine-2-carboxylic acid. With the CAS registry number 23628-31-1, it is also named as 2-Pyridinecarboxylicacid, 6-amino-. The product's categories are Aminoacid; Amines; Blocks; Carboxes; Pyridines; Pyridine; Pharmacetical; Pyridine Series; Carboxylic Acids; Organic Acids; Carboxylic Acids. Besides, it is light yellow crystals. In addition, its molecular formula is C6H6N2O2 and molecular weight is 138.12.

The other characteristics of 6-Aminopyridine-2-carboxylic acid can be summarized as: (1)ACD/LogP: -0.04; (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: 4; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 42.43 Å2; (11)Index of Refraction: 1.649; (12)Molar Refractivity: 35.51 cm3; (13)Molar Volume: 97.4 cm3; (14)Polarizability: 14.07×10-24cm3; (15)Surface Tension: 77.7 dyne/cm; (16)Density: 1.417 g/cm3; (17)Flash Point: 188.3 °C; (18)Melting Point: 320 °C; (19)Enthalpy of Vaporization: 67.17 kJ/mol; (20)Boiling Point: 387.8 °C at 760 mmHg; (21)Vapour Pressure: 1.05E-06 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. It is also toxic by inhalation, in contact with skin and if swallowed. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing, gloves and eye/face protection. Moreover, in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(O)c1nc(N)ccc1
(2)InChI: InChI=1/C6H6N2O2/c7-5-3-1-2-4(8-5)6(9)10/h1-3H,(H2,7,8)(H,9,10)
(3)InChIKey: NMCKJFCJIHCHIS-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C6H6N2O2/c7-5-3-1-2-4(8-5)6(9)10/h1-3H,(H2,7,8)(H,9,10)
(5)Std. InChIKey: NMCKJFCJIHCHIS-UHFFFAOYSA-N