3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)aniline
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![3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)aniline structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/8f0a5ce1cfaf42d3bfc06f13a7718ed4.png "3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)aniline")
3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)aniline
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CAS No:
743444-21-5
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Formula:
C13H16N4
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Chemical Name:
3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)aniline
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Synonyms:
3-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}aniline;743444-21-5;MLS001011019;CHEMBL1370344;DTXSID20366574;HMS2715M04;ZINC2650097;MFCD05263116;3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)aniline;AKOS000122209;MCULE-6574575796;NE35549;SMR000352977;EN300-02530;AB00600488-02;SR-01000050435;SR-01000050435-1;F8889-9220;3-(6,7,8,9-Tetrahydro-5H-1,2,4-triazolo[4,3-a]azepin-3-yl)aniline
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CAS No:
3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)aniline Basic Attributes
228.29 g/mol
228.137496527 g/mol
DTXSID20366574
Safety Information
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:228.29
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:228.137496527
Monoisotopic Mass:228.137496527
Topological Polar Surface Area:56.7
Heavy Atom Count:17
Complexity:258
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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