2-{3-Oxo-2H,3H,5H,6H,7H,8H,9H-(1,2,4)triazolo(4,3-a)azepin-2-yl}acetic acid

cas: 950114-53-1 — see every product listed under this CAS number, including other names

2-{3-Oxo-2H,3H,5H,6H,7H,8H,9H-(1,2,4)triazolo(4,3-a)azepin-2-yl}acetic acid (CAS 950114-53-1) is a chemical reagent available from Chemat. Available pack sizes: 100mg, 1g. Offered by: Biosynth.

brandBiosynth
catalog numberANB11453-100mg
cas950114-53-1
size100mg

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categoryResearch Chemicals
sub-category 1Building Blocks
purityNo data
delivery time3-4 weeks
Structural formula: {0} (CAS {1})

2-(3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)acetic acid (CAS 950114-53-1) is a chemical compound with the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. IUPAC name: 2-(3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)acetic acid. InChIKey: MJUSVNLNPPZGSP-UHFFFAOYSA-N.

Identity
Molecular formulaC9H13N3O3
Molecular weight211.22 g/mol
IUPAC name2-(3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)acetic acid
InChIKeyMJUSVNLNPPZGSP-UHFFFAOYSA-N
SMILESC1CCC2=NN(C(=O)N2CC1)CC(=O)O

Computed by PubChem (NCBI)

Synonyms: 2-{3-oxo-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-2-yl}acetic acid, 2-(3-oxo-2H,3H,5H,6H,7H,8H,9H-(1,2,4)triazolo(4,3-a)azepin-2-yl)acetic acid, 2-(3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)acetic acid, (3-oxo-6,7,8,9-tetrahydro-3H-[1,2,4]triazolo[4,3-a]azepin-2(5H)-yl)acetic acid, 2-(3-Oxo-3,5,6,7,8,9-hexahydro-2H-[1,2,4]triazolo[4,3-a]azepin-2-yl)acetic Acid, 2-{3-oxo-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-2-yl}aceticacid
Isomers (same molecular formula)
1-N-(2-methoxyethyl)-4-nitrobenzene-1,3-diamine C9H13N3O3
N-(3-methoxypropyl)-5-nitropyridin-2-amine C9H13N3O3
N-(2-ethoxyethyl)-3-nitropyridin-2-amine C9H13N3O3
5-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione C9H13N3O3
4-(dimethylamino)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbaldehyde C9H13N3O3
2-methyl-2-[(3-nitro-2-pyridinyl)amino]propan-1-ol C9H13N3O3
methyl 3-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)propanoate C9H13N3O3
methyl (2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoate C9H13N3O3
2-(2-methoxyethylamino)-4-methylpyrimidine-5-carboxylic acid C9H13N3O3
tert-butyl N-(5-hydroxypyrimidin-2-yl)carbamate C9H13N3O3
(4-formyltriazol-1-yl)methyl 2,2-dimethylpropanoate C9H13N3O3
ethyl 2-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)acetate C9H13N3O3

Also listed as

(3-Oxo-6,7,8,9-tetrahydro-3h-[1,2,4]triazolo[4,3-a]azepin-2(5h)-yl)acetic acid, 95% Combi-blocks CAS 950114-53-1
2-{3-oxo-2H,3H,5H,6H,7H,8H,9H-(1,2,4)triazolo(4,3-a)azepin-2-yl}acetic acid, 95% AmBeed CAS 950114-53-1