1H-Indazol-5-amine,1-(phenylmethyl)- supplier

Name
1-BENZYL-1H-INDAZOL-5-YLAMINE
EINECS
CAS No. 23856-21-5
Article Data9
CAS DataBase
Density 1.2 g/cm³
Solubility
Melting Point 147-148 °C
Formula C₁₄H₁₃N₃
Boiling Point 441.6 °C at 760 mmHg
Molecular Weight 223.277
Flash Point 220.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1H-Indazole,5-amino-1-benzyl- (8CI);1-(Phenylmethyl)-1H-indazol-5-amine;1-Benzyl-1H-indazol-5-amine;1-Benzyl-1H-indazol-5-ylamine;5-Amino-1-benzyl-1H-indazole;5-Amino-1-benzylindazole;1-benzyl-1H-indazol-5-amine;1H-Indazol-5-amine, 1-(phenylmethyl)-;
PSA 43.84000
LogP 3.24800

1H-Indazol-5-amine,1-(phenylmethyl)- Specification

The 1H-Indazol-5-amine,1-(phenylmethyl)-, with the CAS registry number 23856-21-5, has the systematic name of 1-benzyl-1H-indazol-5-amine. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of this chemical is C₁₄H₁₃N₃.

The physical properties of 1H-Indazol-5-amine,1-(phenylmethyl)- are as following: (1)ACD/LogP: 2.35; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 21.06 Å²; (7)Index of Refraction: 1.661; (8)Molar Refractivity: 68.34 cm³; (9)Molar Volume: 184.7 cm³; (10)Polarizability: 27.09×10^-24cm³; (11)Surface Tension: 50.1 dyne/cm; (12)Density: 1.2 g/cm³; (13)Flash Point: 220.9 °C; (14)Enthalpy of Vaporization: 69.89 kJ/mol; (15)Boiling Point: 441.6 °C at 760 mmHg; (16)Vapour Pressure: 5.36E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: n2cc1cc(ccc1n2Cc3ccccc3)N
(2)InChI: InChI=1/C14H13N3/c15-13-6-7-14-12(8-13)9-16-17(14)10-11-4-2-1-3-5-11/h1-9H,10,15H2
(3)InChIKey: BQUSMTPKYUILPD-UHFFFAOYAV

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	oral	650mg/kg (650mg/kg)		Chimica Therapeutica. Vol. 5, Pg. 24, 1970.

Product Name

1-BENZYL-1H-INDAZOL-5-YLAMINE

1H-Indazol-5-amine,1-(phenylmethyl)- Specification

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