Basic information
- CAS
54464-14-1- Standard SMILES
COc1ccc(-c2nc(N)n[nH]2)cc1- InChIKey
BKEAHUXWMIWWCP-UHFFFAOYSA-N- Molecular formula
- C9H10N4O
- Average molar mass
- 190.2 g/mol
- Monoisotopic mass
- 190.08546096
Names & identifiers
- Preferred name
- 5-(4-Methoxyphenyl)-4H-1,2,4-triazol-3-amine
- IUPAC
- 5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-amine
- English name
- 5-(4-Methoxyphenyl)-4H-1,2,4-triazol-3-amine
- Molecular formula
- C9H10N4O
- Molecular weight
- 190.2
Names & synonyms
54464-14-15-(4-methoxyphenyl)-4H-1,2,4-triazol-3-amine3-(4-Methoxyphenyl)-1H-1,2,4-triazol-5-amineDTXSID80354750RefChem:530442DTXCID50305810696-389-55-(4-methoxyphenyl)-1H-1,2,4-triazol-3-amineMFCD00815477MLS-0070117.00015-Amino-3-(4-methoxyphenyl)-1H-1,2,4-triazole1h-1,2,4-triazol-5-amine, 3-(4-methoxyphenyl)-
Show more names
5-(4-Methoxyphenyl)-2H-1,2,4-triazol-3-amine3-Amino-5-(4-methoxyphenyl)-1H-1,2,4-triazole[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]amine5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-amine 0.1H2O5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-amine(SALTDATA: 0.1H2O)
3-(4-methoxyphenyl)-1H-1,2,4-triazole-5-ylamine5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-ylamine5-(4-methoxy-phenyl)-4H-[1,2,4]triazol-3-ylamine1H-1,2,4-Triazol-5-amine,3-(4-methoxyphenyl)-MLS000532519cid_781002SCHEMBL1691510SCHEMBL5789379
Database identifiers
- CAS
54464-14-1
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 76.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 182
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H319-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers14 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
重庆奥舍生物化工有限公司023-63225655 13320248848 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
聿锦（天津）科技有限公司13370351217 kungfu1217@1 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
山东滨晨化工有限公司13837799094 18351216136 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
深圳利斯康医药科技有限公司+86-0755-89396905 +86-18025329037 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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