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Basic Information
CAS No.: 1000783-11-8
Name: 4,5-Diaminopyridine-2-carboxylic acid ethyl ester
Molecular Structure:
Molecular Structure of 1000783-11-8 (4,5-Diaminopyridine-2-carboxylic acid ethyl ester)
Formula: C8H11N3O2
Molecular Weight: 181.19184
Synonyms: 4,5-Diaminopyridine-2-carboxylic acid ethyl ester;2-Pyridinecarboxylic acid, 4,5-diaMino-, ethyl ester;4,5-Diamino-2-pyridinecarboxylic acid ethyl ester
Density: 1.279 g/cm3
Boiling Point: 426.838 °C at 760 mmHg
Flash Point: 211.944 °C
PSA: 91.23000
LogP: 1.58510
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Specification

The CAS registry number of 4,5-Diaminopyridine-2-carboxylic acid ethyl ester is 1000783-11-8. This chemical's molecular formula is C8H11N3O2 and molecular weight is 181.19184. What's more, its IUPAC name and systematic name are the same which is called Ethyl 4,5-diaminopicolinate.

Physical properties about 4,5-Diaminopyridine-2-carboxylic acid ethyl ester: (1)ACD/LogP: 0.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.134; (4)ACD/LogD (pH 7.4): 0.165; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 27.268; (8)ACD/KOC (pH 7.4): 29.265; (9)#H bond acceptors: 5; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 91.23 Å2; (13)Index of Refraction: 1.612; (14)Molar Refractivity: 49.222 cm3; (15)Molar Volume: 141.617 cm3; (16)Surface Tension: 62.209 dyne/cm; (17)Density: 1.279 g/cm3; (18)Flash Point: 211.944 °C; (19)Enthalpy of Vaporization: 68.171 kJ/mol ; (20)Boiling Point: 426.838 °C at 760 mmHg ; (21)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CCOC(=O)c1cc(c(cn1)N)N
(2) InChI: InChI=1/C8H11N3O2/c1-2-13-8(12)7-3-5(9)6(10)4-11-7/h3-4H,2,10H2,1H3,(H2,9,11)
(3) InChIKey: XFGYUNVIMSXNNA-UHFFFAOYAC