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CAS No.: | 177407-15-7 |
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Name: | 1-(benzo[d]oxazol-2-yl)ethanamine |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C9H10N2O |
Molecular Weight: | 162.191 |
Synonyms: | 1-(benzo[d]oxazol-2-yl)ethanamine;2-Benzoxazolemethanamine,a-methyl-;alpha-Methyl-2-benzoxazolemethanamine;(S)-1-(Benzo[d]oxazol-2-yl)ethanamine |
Density: | 1.185 g/cm3 |
Boiling Point: | 247.2 °C at 760 mmHg |
Flash Point: | 103.3 °C |
PSA: | 52.05000 |
LogP: | 2.54780 |
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This chemical is called 2-Benzoxazolemethanamine, α-methyl-, and its systematic name is 1-(1,3-benzoxazol-2-yl)ethanamine. With the molecular formula of C9H10N2O, its molecular weight is 162.19. The CAS registry number of this chemical is 177407-15-7.
Other characteristics of the 2-Benzoxazolemethanamine, α-methyl- can be summarised as followings: (1)ACD/LogP: 1.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 1.05; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 2.98; (6)ACD/KOC (pH 5.5): 1.37; (7)ACD/KOC (pH 7.4): 59.16; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 52.05 Å2; (12)Index of Refraction: 1.612; (13)Molar Refractivity: 47.57 cm3; (14)Molar Volume: 136.8 cm3; (15)Polarizability: 18.85×10-24cm3; (16)Surface Tension: 49.8 dyne/cm; (17)Density: 1.185 g/cm3; (18)Flash Point: 103.3 °C; (19)Enthalpy of Vaporization: 48.44 kJ/mol; (20)Boiling Point: 247.2 °C at 760 mmHg; (21)Vapour Pressure: 0.0259 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: CC(N)c1nc2ccccc2o1
2.InChI: InChI=1/C9H10N2O/c1-6(10)9-11-7-4-2-3-5-8(7)12-9/h2-6H,10H2,1H3
3.InChIKey: RAMYOLVPQWSXTB-UHFFFAOYAU