(S)-2-AMINO-3-(1,2,4-TRIAZOL-1-YL)PROPIONICACID
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(S)-2-AMINO-3-(1,2,4-TRIAZOL-1-YL)PROPIONICACID
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CAS No:
4819-36-7
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Formula:
C5H8N4O2
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Chemical Name:
(S)-2-AMINO-3-(1,2,4-TRIAZOL-1-YL)PROPIONICACID
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Synonyms:
3-(1,2,4-Triazol-1-yl)-L-alanine;(S)-2-Amino-3-(1,2,4-triazol-1-yl)propionic acid;(2S)-2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid;SCHEMBL503194;CTK4J0715;STR07156;ZINC2555118;MFCD03791066;AKOS026745242;3-(1H-1,2,4-Triazol-1-yl)-L-alanine
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CAS No:
Safety Information
3
22
36/37
Xn: Harmful;
P264, P270, P301+P312, P330, P501
H302
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 39 companies from 1 notifications to the ECHA C&L Inventory.
(S)-2-AMINO-3-(1,2,4-TRIAZOL-1-YL)PROPIONICACID Use and Manufacturing
A metabolite common to all triazole fungicides: free triazole, 1,2,4-triazole (T), and its 2 conjugates: triazolylalanine (TA) and triazolylacetic acid (TAA)
Computed Properties
Molecular Weight:156.14
XLogP3:-3.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:156.06472551
Monoisotopic Mass:156.06472551
Topological Polar Surface Area:94
Heavy Atom Count:11
Complexity:151
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
(S)-2-AMINO-3-(1,2,4-TRIAZOL-1-YL)PROPIONICACID
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