1H-Pyrazolo[3,4-d]pyrimidin-6-amine supplier

Name
1H-Pyrazolo[3,4-d]pyrimidin-6-amine (9CI)
EINECS
CAS No. 287177-82-6
Article Data3
CAS DataBase
Density 1.612 g/cm³
Solubility
Melting Point
Formula C₅H₅N₅
Boiling Point 482.41 °C at 760 mmHg
Molecular Weight 135.128
Flash Point 277.224 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 6-Aminopyrazolo[3,4-d]pyrimidine;
PSA 80.48000
LogP 0.51630

1H-Pyrazolo[3,4-d]pyrimidin-6-amine Specification

The 1H-Pyrazolo[3,4-d]pyrimidin-6-amine, with the CAS registry number 287177-82-6, is also called 6-Aminopyrazolo[3,4-d]pyrimidine. It belongs to the product category of Pyrimidine. And the molecular formula of the chemical is C₅H₅N₅.

The characteristics of 1H-Pyrazolo[3,4-d]pyrimidin-6-amine are as followings: (1)ACD/LogP: 0.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.428; (4)ACD/LogD (pH 7.4): 0.433; (5)ACD/BCF (pH 5.5): 1.236; (6)ACD/BCF (pH 7.4): 1.251; (7)ACD/KOC (pH 5.5): 40.164; (8)ACD/KOC (pH 7.4): 40.659; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 80.48 Å²; (13)Index of Refraction: 1.837; (14)Molar Refractivity: 37.039 cm³; (15)Molar Volume: 83.823 cm³; (16)Polarizability: 14.683×10^-24cm³; (17)Surface Tension: 122.712 dyne/cm; (18)Density: 1.612 g/cm³; (19)Flash Point: 277.224 °C; (20)Enthalpy of Vaporization: 74.73 kJ/mol; (21)Boiling Point: 482.41 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c1c2cn[nH]c2nc(n1)N
(2)InChI: InChI=1/C5H5N5/c6-5-7-1-3-2-8-10-4(3)9-5/h1-2H,(H3,6,7,8,9,10)
(3)InChIKey: SMXRCJBCWRHDJE-UHFFFAOYAT

Product Name

1H-Pyrazolo[3,4-d]pyrimidin-6-amine (9CI)

1H-Pyrazolo[3,4-d]pyrimidin-6-amine Specification

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