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CAS No.: | 886366-79-6 |
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Name: | 2,3,4,5-TETRAHYDRO-1H-BENZO[E][1,4]DIAZEPIN-7-YLAMINE |
Molecular Structure: | |
Formula: | C9H13N3 |
Molecular Weight: | 163.22 |
Synonyms: | 4]diazepin-7-ylaMine;5-Tetrahydro-1H-benzo[e][1 |
Density: | 1.1 g/cm3 |
Boiling Point: | 375.8 °C at 760 mmHg |
Flash Point: | 213.4 °C |
PSA: | 50.08000 |
LogP: | 1.83190 |
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This chemical is called 1H-1,4-Benzodiazepin-7-amine, 2,3,4,5-tetrahydro-, and its systematic name is 2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-7-amine. With the molecular formula of C9H13N3, its molecular weight is 163.22. The CAS registry number of this chemical is 886366-79-6.
Other characteristics of the 1H-1,4-Benzodiazepin-7-amine, 2,3,4,5-tetrahydro- can be summarised as followings: (1)# of Rule of 5 Violations: 0; (2)#H bond acceptors: 3; (3)#H bond donors: 4; (4)#Freely Rotating Bonds: 1; (5)Polar Surface Area: 50.08 Å2; (6)Index of Refraction: 1.579; (7)Molar Refractivity: 49.35 cm3; (8)Molar Volume: 148.3 cm3; (9)Polarizability: 19.56×10-24cm3; (10)Surface Tension: 45.3 dyne/cm; (11)Density: 1.1 g/cm3; (12)Flash Point: 213.4 °C; (13)Enthalpy of Vaporization: 62.33 kJ/mol; (14)Boiling Point: 375.8 °C at 760 mmHg; (15)Vapour Pressure: 7.59E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Nc1ccc2NCCNCc2c1
2.InChI: InChI=1/C9H13N3/c10-8-1-2-9-7(5-8)6-11-3-4-12-9/h1-2,5,11-12H,3-4,6,10H2
3.InChIKey: GIRWLCALFPKOHC-UHFFFAOYAJ