Basic information
- CAS
278600-50-3- Standard SMILES
COc1ccc(-c2cn[nH]c2N)cc1OC- InChIKey
OZTPWGFELYCRFZ-UHFFFAOYSA-N- Molecular formula
- C11H13N3O2
- Average molar mass
- 219.24 g/mol
- Monoisotopic mass
- 219.10077666
Names & identifiers
- Preferred name
- 4-(3,4-dimethoxyphenyl)-1H-pyrazol-5-amine
- IUPAC
- 4-(3,4-dimethoxyphenyl)-1H-pyrazol-5-amine
- English name
- 4-(3,4-Dimethoxyphenyl)-1H-pyrazol-5-amine
- Molecular formula
- C11H13N3O2
- Molecular weight
- 219.24
Names & synonyms
4-(3,4-dimethoxyphenyl)-1H-pyrazol-5-amine278600-50-3DTXSID10353175RefChem:287479DTXCID60304238696-245-14-(3,4-dimethoxyphenyl)-1H-pyrazol-3-amine4-(3,4-Dimethoxy-phenyl)-2H-pyrazol-3-ylamine1H-pyrazol-5-amine, 4-(3,4-dimethoxyphenyl)-SMR000137610Maybridge3_003486Cambridge id 5118322
Show more names
4-(3,4-dimethoxyphenyl)-2H-pyrazol-3-amine1H-Pyrazol-3-amine, 4-(3,4-dimethoxyphenyl)-[4-(3,4-dimethoxyphenyl)-2H-pyrazol-3-yl]amine
Oprea1_194505CBDivE_005086MLS000532671SCHEMBL1423967CHEMBL1456790OZTPWGFELYCRFZ-UHFFFAOYSA-NHMS1440O10HMS2155A06
Database identifiers
- CAS
278600-50-3- PubChem CID
- 737152
- DTXSID
DTXSID10353175- ChEMBL
CHEMBL1456790- EC Number
- 696-245-1
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 73.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 227
Experimental & physicochemical properties
LogP0.85
Physicochemical properties
- Boiling point
- 427.1 · 427.1±45.0 °C(Predicted)
- Density
- 1.241 · 1.241±0.06 g/cm3(Predicted)
- pka
- 15.29 · 15.29±0.50(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 312 · H312-H332-H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P261-P271-P304+P340-P312
- HazardClass
- IRRITANT
- HS Code
- 2933199090 · 2933199090
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2933199090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H312-H332-H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P261-P271-P304+P340-P312
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers4 total
郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
上海海皋科技有限公司021-57646680 18306277365 · [email protected]
上海药禾平生物医药科技有限公司57540919 13120888836 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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