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CAS No.: | 74-69-1 |
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Name: | 4-Pyrimidinamine, 2-methyl- (9CI) |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C5H7N3 |
Molecular Weight: | 109.131 |
Synonyms: | Pyrimidine,4-amino-2-methyl- (6CI,7CI,8CI);2-Methyl-4-aminopyrimidine;2-Methyl-4-pyrimidinamine;4-Amino-2-methylpyrimidine;NSC 165370;4-pyrimidinamine, 2-methyl-; |
EINECS: | 205-525-8 |
Density: | 1.156 g/cm3 |
Melting Point: | 204-205℃ |
Boiling Point: | 222.186 °C at 760 mmHg |
Flash Point: | 110.702 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22-37/38-41 |
Safety: | 26-39 |
PSA: | 51.80000 |
LogP: | 0.94840 |
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The 4-Pyrimidinamine,2-methyl-, with the CAS registry number 74-69-1, has the systematic name of 2-methylpyrimidin-4-amine. It belongs to the product category of Pyrimidine. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C5H7N3.
The characteristics of 4-Pyrimidinamine,2-methyl- are as followings: (1)ACD/LogP: 0.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.026; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 6.231; (7)ACD/KOC (pH 7.4): 24.2; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 0; (11)Polar Surface Area: 51.8 Å2; (12)Index of Refraction: 1.582; (13)Molar Refractivity: 31.496 cm3; (14)Molar Volume: 94.436 cm3; (15)Polarizability: 12.486×10-24cm3; (16)Surface Tension: 56.619 dyne/cm; (17)Density: 1.156 g/cm3; (18)Flash Point: 110.702 °C; (19)Enthalpy of Vaporization: 45.864 kJ/mol; (20)Boiling Point: 222.186 °C at 760 mmHg; (21)Vapour Pressure: 0.103 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Cc1nccc(n1)N
(2)InChI: InChI=1/C5H7N3/c1-4-7-3-2-5(6)8-4/h2-3H,1H3,(H2,6,7,8)
(3)InChIKey: GKVDLTTVBNOGNJ-UHFFFAOYAH