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CAS No.: | 73866-15-6 |
---|---|
Name: | 3-(1H-BENZIMIDAZOL-1-YL)PROPAN-1-AMINE |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C10H13N3 |
Molecular Weight: | 175.233 |
Synonyms: | 3-Benzimidazol-1-ylpropylamine; |
Density: | 1.17 g/cm3 |
Boiling Point: | 337.3 °C at 760 mmHg |
Flash Point: | 157.8 °C |
Hazard Symbols: | T |
Risk Codes: | 25-34 |
Safety: | 26-36/37/39-45 |
PSA: | 43.84000 |
LogP: | 2.08540 |
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This chemical is called 1H-Benzimidazole-1-propanamine, and its systematic name is 3-(1H-benzimidazol-1-yl)propan-1-amine. With the molecular formula of C10H13N3, its molecular weight is 175.23. The CAS registry number of this chemical is 73866-15-6. Additionally, its product category is Benzimidazole.
Other characteristics of the 1H-Benzimidazole-1-propanamine can be summarised as followings: (1)ACD/LogP: 1.09; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 21.06 Å2; (7)Index of Refraction: 1.622; (8)Molar Refractivity: 52.45 cm3; (9)Molar Volume: 148.7 cm3; (10)Polarizability: 20.79×10-24cm3; (11)Surface Tension: 48.1 dyne/cm; (12)Density: 1.17 g/cm3; (13)Flash Point: 157.8 °C; (14)Enthalpy of Vaporization: 58.05 kJ/mol; (15)Boiling Point: 337.3 °C at 760 mmHg; (16)Vapour Pressure: 0.000106 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: n2c1ccccc1n(c2)CCCN
2.InChI: InChI=1/C10H13N3/c11-6-3-7-13-8-12-9-4-1-2-5-10(9)13/h1-2,4-5,8H,3,6-7,11H2
3.InChIKey: ZPIGBNBDPBKNCO-UHFFFAOYAQ