5-Methoxy-1H-1,2,4-triazol-3-amine
Basic information
- CAS
51108-34-0- Standard SMILES
COc1n[nH]c(N)n1- InChIKey
JUHWLXRDVSBGOO-UHFFFAOYSA-N- Molecular formula
- C3H6N4O
- Average molar mass
- 114.11 g/mol
- Monoisotopic mass
- 114.05416083
Names & identifiers
- Preferred name
- 5-Methoxy-1H-1,2,4-triazol-3-amine
- IUPAC
- 3-methoxy-1H-1,2,4-triazol-5-amine
- English name
- 2-Benzofurancarboxylicacid, 3-[2-(4-methoxyphenyl)-2-phenylethenyl]-
- Molecular formula
- C3H6N4O
- Molecular weight
- 114.11
Names & synonyms
5-methoxy-1H-1,2,4-triazol-3-amineRefChem:536587833-410-051108-34-03-methoxy-1H-1,2,4-triazol-5-amine2-Benzofurancarboxylicacid, 3-[2-(4-methoxyphenyl)-2-phenylethenyl]-NSC207101SCHEMBL230932SCHEMBL231832CHEMBL4562309SCHEMBL27924554DTXSID00965387
Show more names
NSC 2071011H-1,2,4-Triazol-3-amine, 5-methoxy-3-[2-(4-Methoxyphenyl)-2-phenylvinyl]-1-benzofuran-2-carboxylic acid
JUHWLXRDVSBGOO-UHFFFAOYSA-NAKOS006378570AKOS017407336AT21267NSC-2071015-methoxy-4H-1,2,4-triazol-3-amine5-methoxy-1H-1,2,4-triazole-3-amineDA-38886
Database identifiers
- CAS
51108-34-0- PubChem CID
- 307982
- DTXSID
DTXSID00965387- ChEMBL
CHEMBL4562309- EC Number
- 833-410-0
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 76.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 77.7
Physicochemical properties
- Boiling point
- 327 ℃ · 327℃
- Density
- 1.417 · 1.417
- Flash point
- 151 ℃ · 151℃
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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