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1H-Indazol-7-amine

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Name

1H-Indazol-7-amine

EINECS 244-391-8
CAS No. 21443-96-9 Density 1.367 g/cm3
PSA 54.70000 LogP 1.72630
Solubility N/A Melting Point 156-159 °C
Formula C7H7N3 Boiling Point 376.6 °C at 760 mmHg
Molecular Weight 133.153 Flash Point 209.5 °C
Transport Information UN 3259 Appearance N/A
Safety 26-36/37/39 Risk Codes 34
Molecular Structure Molecular Structure of 21443-96-9 (1H-Indazol-7-amine) Hazard Symbols IrritantXi
Synonyms

1H-Indazole,7-amino- (6CI,7CI,8CI);1H-Indazol-7-ylamine;7-Aminoindazole;NSC 170661;NSC 44675;1H-indazole-7-amine;

Article Data 20

1H-Indazol-7-amine Specification

The 1H-Indazol-7-amine, with the CAS registry number 21443-96-9 and EINECS registry number 244-391-8, has the systematic name of 1H-indazol-7-amine. The molecular formula of the chemical is C7H7N3. And the chemical belongs to the following product categories: Pharmacetical; Amines; Building Blocks; Indazole; Fused Ring Systems.

The characteristics of this chemical are as followings: (1)ACD/LogP: 0.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.53; (4)ACD/LogD (pH 7.4): 0.54; (5)ACD/BCF (pH 5.5): 1.47; (6)ACD/BCF (pH 7.4): 1.51; (7)ACD/KOC (pH 5.5): 45.66; (8)ACD/KOC (pH 7.4): 46.72; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 21.06 Å2; (13)Index of Refraction: 1.78; (14)Molar Refractivity: 40.85 cm3; (15)Molar Volume: 97.3 cm3; (16)Polarizability: 16.19×10-24cm3; (17)Surface Tension: 79.4 dyne/cm; (18)Density: 1.367 g/cm3; (19)Flash Point: 209.5 °C; (20)Enthalpy of Vaporization: 62.43 kJ/mol; (21)Boiling Point: 376.6 °C at 760 mmHg; (22)Vapour Pressure: 7.16E-06 mmHg at 25°C.

You should be cautious while dealing with this chemical. It may cause burns. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: n2cc1cccc(c1n2)N
(2)InChI: InChI=1/C7H7N3/c8-6-3-1-2-5-4-9-10-7(5)6/h1-4H,8H2,(H,9,10)
(3)InChIKey: OTFFCAGPSWJBDK-UHFFFAOYAS

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1gm/kg (1000mg/kg)   Chimica Therapeutica. Vol. 5, Pg. 24, 1970.

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