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71515-82-7

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Basic Information
CAS No.: 71515-82-7
Name: decahydropyrido[1,2-a][1,4]diazepine
Molecular Structure:
Molecular Structure of 71515-82-7 (decahydropyrido[1,2-a][1,4]diazepine)
Formula: C9H18N2
Molecular Weight: 154.255
Synonyms: Decahydropyrido[1,2-a][1,4]diazepine;
Density: 0.996 g/cm3
Boiling Point: 220.232 °C at 760 mmHg
Flash Point: 84.834 °C
PSA: 15.27000
LogP: 1.10090
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Specification

This chemical is called Pyrido[1,2-a][1,4]diazepine,decahydro-, and its systematic name is Decahydropyrido[1,2-a][1,4]diazepine. With the molecular formula of C9H18N2, its molecular weight is 154.25. The CAS registry number of this chemical is 71515-82-7.

Other characteristics of the Pyrido[1,2-a][1,4]diazepine,decahydro- can be summarised as followings: (1)(1)ACD/LogP: 0.94; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 2; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 0; (10)Polar Surface Area: 15.27 Å2; (11)Index of Refraction: 1.521; (12)Molar Refractivity: 47.141 cm3; (13)Molar Volume: 154.938 cm3; (14)Polarizability: 18.688×10-24cm3; (15)Surface Tension: 37.721 dyne/cm; (16)Density: 0.996 g/cm3; (17)Flash Point: 84.834 °C; (18)Enthalpy of Vaporization: 45.665 kJ/mol; (19)Boiling Point: 220.232 °C at 760 mmHg; (20)Vapour Pressure: 0.114 mmHg at 25°C.

1.SMILES: C1CCN2CCCNCC2C1
2.InChI: InChI=1/C9H18N2/c1-2-6-11-7-3-5-10-8-9(11)4-1/h9-10H,1-8H2 
3.InChIKey: BCCYMYGTHPEHED-UHFFFAOYAX