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| CAS No.: | 95-02-3 |
|---|---|
| Name: | 4-AMINO-5-AMINOMETHYL-2-METHYLPYRIMIDINE, DIHYDROCHLORIDE |
| Molecular Structure: | |
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| Formula: | C6H10N4 |
| Molecular Weight: | 138.172 |
| Synonyms: | Pyrimidine,4-amino-5-(aminomethyl)-2-methyl- (6CI,8CI);2-Methyl-4-amino-5-(aminomethyl)pyrimidine;4-Amino-5-aminomethyl-2-methylpyrimidine;5-(Aminomethyl)-4-amino-2-methylpyrimidine;Grewe diamine; |
| EINECS: | 202-384-7 |
| Density: | 1.207 g/cm3 |
| Melting Point: | 270-272 °C |
| Boiling Point: | 301.6 °C at 760 mmHg |
| Flash Point: | 161.5 °C |
| PSA: | 77.82000 |
| LogP: | 2.71140 |
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Specification
The 5-Pyrimidinemethanamine,4-amino-2-methyl-, with the CAS registry number 95-02-3, is also known as 2-Methyl-4-amino-5-aminomethylpyrimidine. Its EINECS registry number is 202-384-7. This chemical's molecular formula is C6H10N4 and molecular weight is 138.1704. Its systematic name is called 5-(aminomethyl)-2-methylpyrimidin-4-amine.
Physical properties of 5-Pyrimidinemethanamine,4-amino-2-methyl-: (1)ACD/LogP: -1.20; (2)ACD/LogD (pH 5.5): -3.29; (3)ACD/LogD (pH 7.4): -1.59; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 2.16; (8)#H bond acceptors: 4; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.615; (12)Molar Refractivity: 39.94 cm3; (13)Molar Volume: 114.4 cm3; (14)Surface Tension: 64.9 dyne/cm; (15)Density: 1.207 g/cm3; (16)Flash Point: 161.5 °C; (17)Enthalpy of Vaporization: 54.18 kJ/mol; (18)Boiling Point: 301.6 °C at 760 mmHg; (19)Vapour Pressure: 0.00104 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: n1c(N)c(cnc1C)CN
(2)InChI: InChI=1/C6H10N4/c1-4-9-3-5(2-7)6(8)10-4/h3H,2,7H2,1H3,(H2,8,9,10)
(3)InChIKey: OZOHTVFCSKFMLL-UHFFFAOYAD