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CAS No.: | 19408-86-7 |
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Name: | 2,3-DIHYDROPYRIMIDIN-4-AMINE |
Molecular Structure: | |
Formula: | C4H7N3 |
Molecular Weight: | 97.1185 |
Synonyms: | 2'-Deoxycytosine;1,2-Dihydropyrimidin-6-amine; |
Density: | 1.31 g/cm3 |
Boiling Point: | 239.4 °C at 760 mmHg |
Flash Point: | 98.6 °C |
PSA: | 50.41000 |
LogP: | -0.11730 |
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The 4-Pyrimidinamine,1,2-dihydro-, with the CAS registry number 19408-86-7, is also known as 2'-Deoxycytosine and 1,2-Dihydropyrimidin-6-amine. This chemical's molecular formula is C4H7N3 and molecular weight is 97.1185. What's more, its systematic name is called 2,3-Dihydropyrimidin-4-amine.
Physical properties about 4-Pyrimidinamine,1,2-dihydro- are: (1)ACD/LogP: -1.73; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.73; (4)ACD/LogD (pH 7.4): -3.73; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 18.84 Å2; (13)Index of Refraction: 1.632; (14)Molar Refractivity: 26.44 cm3; (15)Molar Volume: 74.1 cm3; (16)Surface Tension: 53.7 dyne/cm; (17)Density: 1.31 g/cm3; (18)Flash Point: 98.6 °C; (19)Enthalpy of Vaporization: 47.63 kJ/mol; (20)Boiling Point: 239.4 °C at 760 mmHg; (21)Vapour Pressure: 0.0402 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: N\1=C\C=C(\N)NC/1
(2) InChI: InChI=1/C4H7N3/c5-4-1-2-6-3-7-4/h1-2,7H,3,5H2
(3) InChIKey: KQYVZLXCACFZRW-UHFFFAOYAG