5-PHENYL-1H-IMIDAZOL-2-AMINE
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5-PHENYL-1H-IMIDAZOL-2-AMINE
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CAS No:
6775-40-2
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Formula:
C9H9N3
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Chemical Name:
5-PHENYL-1H-IMIDAZOL-2-AMINE
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Synonyms:
5-PHENYL-1H-IMIDAZOL-2-AMINE;4-phenyl-1H-imidazol-2-amine;5-Phenyl-1H-iMidazol-2-ylaMine;1H-IMidazol-2-aMine, 4-phenyl-;2-aMino-1H-4(5)-phenyliMidazole
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CAS No:
Safety Information
NONH for all modes of transport
3
26
Xn
P305 + P351 + P338
H302-H315-H319
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P332+P313, P337+P313, P362, and P501|Aggregated GHS information provided by 40 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
5-PHENYL-1H-IMIDAZOL-2-AMINE Use and Manufacturing
A mixture of 17 (500 mg), 6 M HCl (2.2 mL), and MeOH (2.5 mL)was refluxed for 3 h. After cooling the mixture to room temperature, the precipitate was filtered off and the filtrate was then concentratedin vacuo. The obtained residue was dissolved in H2O andthe resulting solution was neutralized with 1 M NaOH. The precipitatewas collected in vacuo and then washed with H2O and Et2O togive 18 (131 mg, 33percent) as a pale brown solid. 1H NMR (DMSO-d6) d5.25 (2H, s), 6.96 (1H, s), 7.07 (1H, t, J = 7.5 Hz), 7.26 (2H, t, J = 7.5 Hz), 7.57 (2H, d, J = 7.5 Hz), 10.53 (1H, br s); FAB MS m/e(M+H)+ 160; HRMS (ESI) Calcd for C9H10N3 (M+H)+: 160.0875, found: 160.0871; Anal. Calcd for C9H9N30.3H2O: C, 65.68; H, 5.88; N, 25.53. Found: C, 65.81; H, 5.49; N, 25.19.
Computed Properties
Molecular Weight:159.19
XLogP3:1.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:159.079647300
Monoisotopic Mass:159.079647300
Topological Polar Surface Area:54.7
Heavy Atom Count:12
Complexity:143
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes