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202391-71-7

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Basic Information
CAS No.: 202391-71-7
Name: 5-(3-Aminopropyl)-1H-imidazol-2-amine
Article Data: 6
Molecular Structure:
Molecular Structure of 202391-71-7 (5-(3-Aminopropyl)-1H-imidazol-2-amine)
Formula: C6H12N4
Molecular Weight: 140.188
Synonyms: 2-Amino-1H-imidazole-5-propanamine;
Density: 1.206 g/cm3
Melting Point: 213-215 °C
Boiling Point: 376.723 °C at 760 mmHg
Flash Point: 209.593 °C
PSA: 80.72000
LogP: 1.16470
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Specification

The IUPAC name of 5-(3-Aminopropyl)-1H-imidazol-2-amine is 5-(3-aminopropyl)-1H-imidazol-2-amine. With the CAS registry number 202391-71-7, it is also named as 2-Amino-1H-imidazole-5-propanamine. The product's molecular formula is C6H12N4 and its molecular weight is 140.19. 

The other characteristics of 5-(3-Aminopropyl)-1H-imidazol-2-amine can be summarized as: (1)ACD/LogP: -0.62; (2)# of Rule of 5 Violations: 1; (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: 4; (8)H bond donors: 5; (9)Freely Rotating Bonds: 4; (10)Polar Surface Area: 80.72 Å2; (11)Index of Refraction: 1.618; (12)Molar Refractivity: 40.731 cm3; (13)Molar Volume: 116.261 cm3; (14)Polarizability: 16.147×10-24cm3; (15)Surface Tension: 66.719 dyne/cm; (16)Density: 1.206 g/cm3; (17)Flash Point: 209.593 °C; (18)Enthalpy of Vaporization: 62.44 kJ/mol; (19)Boiling Point: 376.723 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:c1c([nH]c(n1)N)CCCN
(2)InChI:InChI=1/C6H12N4/c7-3-1-2-5-4-9-6(8)10-5/h4H,1-3,7H2,(H3,8,9,10)
(3)InChIKey:UEEYLEBZWQYELS-UHFFFAOYAB
(4)Std. InChI:InChI=1S/C6H12N4/c7-3-1-2-5-4-9-6(8)10-5/h4H,1-3,7H2,(H3,8,9,10)
(5)Std. InChIKey:UEEYLEBZWQYELS-UHFFFAOYSA-N