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296775-93-4

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Basic Information
CAS No.: 296775-93-4
Name: 3-(AMINOMETHYL)INDOLE OXALATE
Molecular Structure:
Molecular Structure of 296775-93-4 (3-(AMINOMETHYL)INDOLE OXALATE)
Formula: C9H11N2+
Molecular Weight: 236.227
Synonyms: 3-(Aminomethyl)indole oxalate;
Density: 1.2860 (rough estimate)
Melting Point: 203 °C
Boiling Point: 335.6 °C at 760 mmHg
Flash Point: 183.3 °C
Hazard Symbols: Xi,T
Risk Codes: 25
Safety: 45
PSA: 116.41000
LogP: 1.48250
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Specification

The 1H-Indol-3-ylmethylazanium, with the CAS registry number 296775-93-4, is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C9H11N2+.

The characteristics of 1H-Indol-3-ylmethylazanium are as followings: (1)ACD/LogP: 1.01; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 4.93 Å2; (7)Flash Point: 183.3 °C; (8)Enthalpy of Vaporization: 57.87 kJ/mol; (9)Boiling Point: 335.6 °C at 760 mmHg; (10)Vapour Pressure: 0.000118 mmHg at 25°C.    

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c1cccc2c1c(cn2)C[NH3+]
(2)InChI: InChI=1/C9H10N2/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5,10H2/p+1
(3)InChIKey: JXYGLMATGAAIBU-IKLDFBCSAI