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62476-84-0

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Basic Information
CAS No.: 62476-84-0
Name: N-(3-GUANIDINOPROPYL)GUANIDINE
Molecular Structure:
Molecular Structure of 62476-84-0 (N-(3-GUANIDINOPROPYL)GUANIDINE)
Formula: C5H14N6
Molecular Weight: 158.206
Synonyms: Guanidine,trimethylenebis- (3CI);1,3-Diguanidinopropane;Norarcaine;
EINECS: 263-565-4
Density: 1.44 g/cm3
Boiling Point: 391.6 °C at 760 mmHg
Flash Point: 190.6 °C
PSA: 123.80000
LogP: 0.72450
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Specification

This chemical is called Guanidine, N,N'''-1,3-propanediylbis-, and its systematic name is N,N'''-Propane-1,3-diylbis(guanidine). With the molecular formula of C5H14N6, its molecular weight is 158.20. The CAS registry number of this chemical is 62476-84-0.

Other characteristics of the Guanidine, N,N'''-1,3-propanediylbis- can be summarised as followings: (1)ACD/LogP: -1.67; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -4.67; (4)ACD/LogD (pH 7.4): -4.67; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 8; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 37.68 Å2; (13)Index of Refraction: 1.638; (14)Molar Refractivity: 39.35 cm3; (15)Molar Volume: 109.4 cm3; (16)Polarizability: 15.6×10-24cm3; (17)Surface Tension: 68.9 dyne/cm; (18)Density: 1.44 g/cm3; (19)Flash Point: 190.6 °C; (20)Enthalpy of Vaporization: 64.13 kJ/mol; (21)Boiling Point: 391.6 °C at 760 mmHg; (22)Vapour Pressure: 2.43E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: N(=C(/N)N)\CCC/N=C(/N)N
2.InChI: InChI=1/C5H14N6/c6-4(7)10-2-1-3-11-5(8)9/h1-3H2,(H4,6,7,10)(H4,8,9,11)
3.InChIKey: MSPDCJMYQNYOSY-UHFFFAOYAH