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| CAS No.: | 179323-61-6 |
|---|---|
| Name: | 5-Pyrimidinemethanamine, alpha-methyl- (9CI) |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C6H9N3 |
| Molecular Weight: | 123.158 |
| Synonyms: | 5-(1-Aminoethyl)pyrimidine; |
| Density: | 1.089 g/cm3 |
| Boiling Point: | 220.357 °C at 760 mmHg |
| Flash Point: | 109.532 °C |
| PSA: | 51.80000 |
| LogP: | 1.19660 |
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Specification
The 1-(5-Pyrimidinyl)ethanamine, with the CAS registry number 179323-61-6, is also known as 5-(1-Aminoethyl)pyrimidine. It belongs to the product category of Pyrimidine. This chemical's molecular formula is C6H9N3 and molecular weight is 123.16. What's more, its systematic name is 1-(5-Pyrimidinyl)ethanamine.
Physical properties of 1-(5-Pyrimidinyl)ethanamine are: (1)ACD/LogP: -1.115; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.32; (4)ACD/LogD (pH 7.4): -1.63; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.79; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 51.8 Å2; (13)Index of Refraction: 1.54; (14)Molar Refractivity: 35.523 cm3; (15)Molar Volume: 113.124 cm3; (16)Polarizability: 14.082×10-24cm3; (17)Surface Tension: 49.4 dyne/cm; (18)Density: 1.089 g/cm3; (19)Flash Point: 109.532 °C; (20)Enthalpy of Vaporization: 45.678 kJ/mol; (21)Boiling Point: 220.357 °C at 760 mmHg; (22)Vapour Pressure: 0.1 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(N)c1cncnc1
(2)Std. InChI: InChI=1S/C6H9N3/c1-5(7)6-2-8-4-9-3-6/h2-5H,7H2,1H3
(3)Std. InChIKey: GWCPZMRPJBYIFM-UHFFFAOYSA-N