HOAt
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HOAt
structure -
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CAS No:
39968-33-7
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Formula:
C5H4N4O
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Chemical Name:
HOAt
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Synonyms:
3H-1,2,3-Triazolo[4,5-b]pyridine,3-hydroxy-;3-Hydroxy-3H-1,2,3-triazolo[4,5-b]pyridine;1-Hydroxy-1H-v-triazolo[4,5-b]pyridine;1-Hydroxy-7-azabenzotriazole;7-Aza-1-hydroxybenzotriazole;HOAt;[1,2,3]Triazolo[4,5-b]pyridin-3-ol;1-Hydroxyl-7-azabenzotriazole;3H-[1,2,3]Triazolo[4,5-b]pyridin-3-ol;N-Hydroxy-7-azabenzotriazole;3-Hydroxytriazolo[4,5-b]pyridine
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CAS No:
Characteristics
63.8
-0.68
yellow crystalline powder
1.603 g/cm3
215-217 °C
376.8±34.0 °C at 760 mmHg
213-216°C
1.836
Store at RT.
Safety Information
IRRITANT
UN 1993 3/PG 3
1
61-20/21-36-5-36/37/38-11-41-37/38-22-2-36/37
53-45-37/39-26-16-39-35-36-36/37-28-15
T,Xi,F,Xn,E
Irritant
P210, P240, P250, P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P370+P380, P372, P373, P374, P401, P403+P233, P405, P501
H204
|Danger|H204 (96.91%): Fire or projection hazard [Warning Explosives]|P210, P240, P250, P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P370+P380, P372, P373, P374, P401, P403+P233, P405, and P501|Aggregated GHS information provided by 162 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
HOAt Use and Manufacturing
Inhibition of racemization during peptide condensation; also used for fragment condensation
Computed Properties
Molecular Weight:136.11
XLogP3:0.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Exact Mass:136.03851076
Monoisotopic Mass:136.03851076
Topological Polar Surface Area:63.8
Heavy Atom Count:10
Complexity:131
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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