Name: 3-Amino-6-methoxy-1H-indazole
SKU: 511225-17-5

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Basic Information

Molecular Structure:
CAS No.:	511225-17-5
Name:	3-Amino-6-methoxy-1H-indazole

Formula:	C₈H₉N₃O
Molecular Weight:	163.179
Synonyms:	6-methoxy-1H-indazol-3-amine;1H-Indazol-3-amine,6-methoxy-(9CI);
Density:	1.344 g/cm³
Melting Point:	202-203 °C
Boiling Point:	406.3 °C at 760 mmHg
Flash Point:	199.5 °C
PSA:	63.93000
LogP:	1.73490

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Specification

The CAS register number of 3-Amino-6-methoxy-1H-indazole is 511225-17-5. It also can be called as 1H-Indazol-3-amine,6-methoxy-(9CI) and the IUPAC name about this chemical is 6-methoxy-1H-indazol-3-amine. The molecular formula about this chemical is C₈H₉N₃O and the molecular weight is 163.18. It belongs to the following product category which includes Methoxy.

Physical properties about 3-Amino-6-methoxy-1H-indazole are: (1)ACD/LogP: 1.12; (2)ACD/LogD (pH 5.5): 1.1; (3)ACD/LogD (pH 7.4): 1.12; (4)ACD/BCF (pH 5.5): 3.98; (5)ACD/BCF (pH 7.4): 4.2; (6)ACD/KOC (pH 5.5): 92.04; (7)ACD/KOC (pH 7.4): 97.23; (8)#H bond acceptors: 4; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 63.93 Å²; (12)Index of Refraction: 1.712; (13)Molar Refractivity: 47.53 cm³; (14)Molar Volume: 121.3 cm³; (15)Polarizability: 18.84x10^-24cm³; (16)Surface Tension: 67 dyne/cm; (17)Density: 1.344 g/cm³; (18)Flash Point: 199.5 °C; (19)Enthalpy of Vaporization: 65.8 kJ/mol; (20)Boiling Point: 406.3 °C at 760 mmHg; (21)Vapour Pressure: 8.21E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: COc1ccc2c(c1)nnc2N
(2)InChI: InChI=1/C8H9N3O/c1-12-5-2-3-6-7(4-5)10-11-8(6)9/h2-4H,1H3,(H3,9,10,11)
(3)InChIKey: HNOSKPXFWPKCPP-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C8H9N3O/c1-12-5-2-3-6-7(4-5)10-11-8(6)9/h2-4H,1H3,(H3,9,10,11)
(5)Std. InChIKey: HNOSKPXFWPKCPP-UHFFFAOYSA-N