CAS No.5440-00-6,5,6-DIAMINO-1,3-DIMETHYL URACIL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	5440-00-6
Name:	5,6-DIAMINO-1,3-DIMETHYL URACIL
Article Data:	42

Formula:	C₆H₁₀N₄O₂
Molecular Weight:	170.171
Synonyms:	Uracil,5,6-diamino-1,3-dimethyl- (6CI,7CI,8CI);1,3-Dimethyl-5,6-diaminouracil;4,5-Diamino-1,3-dimethyl-2,6-dioxotetrahydropyrimidine;4,5-Diamino-1,3-dimethylpyrimidine-2,6-dione;4,5-Diamino-1,3-dimethyluracil;5,6-Diamino-1,3-dimethyl-2,4-pyrimidinedione;5,6-Diamino-1,3-dimethyluracil;NSC 15493;
EINECS:	226-621-9
Density:	1.35 g/cm³
Melting Point:	210-214 °C (dec.)(lit.)
Boiling Point:	243.6 °C at 760 mmHg
Flash Point:	101.1 °C
Appearance:	pale brown solid
PSA:	96.04000
LogP:	-0.58920

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Specification

The 2,4(1H,3H)-Pyrimidinedione,5,6-diamino-1,3-dimethyl-, with the CAS registry number 5440-00-6, is also known as 5,6-Diamino-1,3-dimethylurea. It belongs to the product categories of Nucleotides and Nucleosides; 5-FOA; Bases & Related Reagents; Nucleotides. Its EINECS registry number is 226-621-9. This chemical's molecular formula is C₆H₁₀N₄O₂ and molecular weight is 170.080376. Its IUPAC name is called 5,6-diamino-1,3-dimethylpyrimidine-2,4-dione. This chemical is pale brown solid.

Physical properties of 2,4(1H,3H)-Pyrimidinedione,5,6-diamino-1,3-dimethyl-: (1)ACD/LogP: -1.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.69; (4)ACD/LogD (pH 7.4): -1.69; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.84; (8)ACD/KOC (pH 7.4): 2.86; (9)#H bond acceptors: 6; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.58; (13)Molar Refractivity: 41.95 cm³; (14)Molar Volume: 125.9 cm³; (15)Surface Tension: 55.1 dyne/cm; (16)Density: 1.35 g/cm³; (17)Flash Point: 101.1 °C; (18)Enthalpy of Vaporization: 48.06 kJ/mol; (19)Boiling Point: 243.6 °C at 760 mmHg; (20)Vapour Pressure: 0.0318 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CN1C(=C(C(=O)N(C1=O)C)N)N
(2)InChI: InChI=1S/C6H10N4O2/c1-9-4(8)3(7)5(11)10(2)6(9)12/h7-8H2,1-2H3
(3)InChIKey: BGQNOPFTJROKJE-UHFFFAOYSA-N