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| CAS No.: | 23856-21-5 |
|---|---|
| Name: | 1-BENZYL-1H-INDAZOL-5-YLAMINE |
| Article Data: | 9 |
| Molecular Structure: | |
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| Formula: | C14H13N3 |
| Molecular Weight: | 223.277 |
| 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)-; |
| Density: | 1.2 g/cm3 |
| Melting Point: | 147-148 °C |
| Boiling Point: | 441.6 °C at 760 mmHg |
| Flash Point: | 220.9 °C |
| PSA: | 43.84000 |
| LogP: | 3.24800 |
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- Total:36 Page 1 of 1 1
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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. |