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CAS No.: | 444731-75-3 |
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Name: | N-(2-chloropyriMidin-4-yl)-N,2,3-triMethyl-2H-indazol-6-aMine |
Article Data: | 23 |
Molecular Structure: | |
Formula: | C14H14ClN5 |
Molecular Weight: | 287.752 |
Synonyms: | 2H-Indazol-6-amine,N-(2-chloro-4-pyrimidinyl)-N,2,3-trimethyl- |
EINECS: | 810-050-2 |
Density: | 1.339 g/cm3 |
Melting Point: | 167-173℃ |
Boiling Point: | 524.447 °C at 760 mmHg |
Flash Point: | 270.976 °C |
PSA: | 46.84000 |
LogP: | 3.09300 |
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The 2H-Indazol-6-amine,N-(2-chloro-4-pyrimidinyl)-N,2,3-trimethyl-, with the CAS registry number 444731-75-3, has the molecular formula C14H14ClN5. Its molecular weight is 287.7475. Its systematic name is called N-(2-chloropyrimidin-4-yl)-N,2,3-trimethyl-2H-indazol-6-amine.
Physical properties of 2H-Indazol-6-amine,N-(2-chloro-4-pyrimidinyl)-N,2,3-trimethyl-: (1)ACD/LogP: 3.05; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 23; (5)ACD/BCF (pH 7.4): 23; (6)ACD/KOC (pH 5.5): 327; (7)ACD/KOC (pH 7.4): 328; (8)#H bond acceptors: 5; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.673; (11)Molar Refractivity: 80.537 cm3; (12)Molar Volume: 214.899 cm3; (13)Surface Tension: 47.555 dyne/cm; (14)Density: 1.339 g/cm3; (15)Flash Point: 270.976 °C; (16)Enthalpy of Vaporization: 79.834 kJ/mol; (17)Boiling Point: 524.447 °C at 760 mmHg; (18)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1nccc(n1)N(c3ccc2c(nn(c2C)C)c3)C
(2)InChI: InChI=1/C14H14ClN5/c1-9-11-5-4-10(8-12(11)18-20(9)3)19(2)13-6-7-16-14(15)17-13/h4-8H,1-3H3
(3)InChIKey: DVGMRZQSSNNTFY-UHFFFAOYAJ