2,4-Diaminopyrimidine-5-carboxylic acid supplier

Name
2,4-Diaminopyrimidine-5-carboxylic acid
EINECS
CAS No. 18588-61-9
Article Data2
CAS DataBase
Density 1.658 g/cm³
Solubility
Melting Point
Formula C₅H₆N₄O₂
Boiling Point 536.995 °C at 760 mmHg
Molecular Weight 154.128
Flash Point 278.565 °C
Transport Information
Appearance
Safety 36/37
Risk Codes 20/21/22
Molecular Structure
Hazard Symbols
Synonyms NSC9315;
PSA 115.12000
LogP 0.50160

2,4-Diaminopyrimidine-5-carboxylic acid Specification

The 2,4-Diaminopyrimidine-5-carboxylic acid, with the CAS registry number 18588-61-9, is also known as NSC9315. This chemical's molecular formula is C₅H₆N₄O₂ and molecular weight is 154.12674. Its IUPAC name is called 2,4-diaminopyrimidine-5-carboxylic acid.

Physical properties of 2,4-Diaminopyrimidine-5-carboxylic acid: (1)(ChemAxon) ACD/LogP: 0.13; (2)# of Rule of 5 Violations: 1; (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: 6; (8)#H bond donors: 5; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.749; (11)Molar Refractivity: 37.838 cm³; (12)Molar Volume: 92.971 cm³; (13)Surface Tension: 122.6 dyne/cm; (14)Density: 1.658 g/cm³; (15)Flash Point: 278.565 °C; (16)Enthalpy of Vaporization: 85.655 kJ/mol; (17)Boiling Point: 536.995 °C at 760 mmHg; (18)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=C(C(=NC(=N1)N)N)C(=O)O
(2)InChI: InChI=1S/C5H6N4O2/c6-3-2(4(10)11)1-8-5(7)9-3/h1H,(H,10,11)(H4,6,7,8,9)
(3)InChIKey: GGZRCTWHSWYCFR-UHFFFAOYSA-N

Product Name

2,4-Diaminopyrimidine-5-carboxylic acid

2,4-Diaminopyrimidine-5-carboxylic acid Specification

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