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74420-00-1

Basic Information
CAS No.: 74420-00-1
Name: 1,7-DIDEAZAADENINE
Article Data: 1
Molecular Structure:
Molecular Structure of 74420-00-1 (1,7-DIDEAZAADENINE)
Formula: C7H7N3
Molecular Weight: 133.153
Synonyms: 1,7-Dideazaadenine;4-Amino-1H-pyrrolo[2,3-b]pyridine;4-Amino-1H-pyrrolo[2,3-b]pyridine;
Density: 1.367 g/cm3
Boiling Point: 348.6±35.0 °C(Predicted)
Hazard Symbols: Xi
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Specification

The 1H-Pyrrolo[2,3-b]pyridin-4-amine, with the CAS registry number 74420-00-1, is also called 4-Amino-1H-pyrrolo[2,3-b]pyridine. It is a kind of irritant chemcial, and should be stored in the dry and cool environment. The molecular formula of this chemical is C7H7N3.

The physical properties of 1H-Pyrrolo[2,3-b]pyridin-4-amine are as followings: (1)ACD/LogP: 1.07; (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): 1.403; (7)#H bond acceptors: 3; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 54.7 Å2; (11)Index of Refraction: 1.78; (12)Molar Refractivity: 40.856 cm3; (13)Molar Volume: 97.376 cm3; (14)Polarizability: 16.197×10-24cm3; (15)Surface Tension: 79.421 dyne/cm; (16)Density: 1.367 g/cm3.

You can still convert the following datas into molecular structure:
(1)SMILES: c1c[nH]c2c1c(ccn2)N
(2)InChI: InChI=1/C7H7N3/c8-6-2-4-10-7-5(6)1-3-9-7/h1-4H,(H3,8,9,10)
(3)InChIKey: RCWISWVYKNLXHC-UHFFFAOYAJ