Basic information
- CAS
692281-53-1- Standard SMILES
COc1ccc(CCC(=O)Nc2ccccc2C(=O)O)cc1- InChIKey
FZTBEHSMFGKXNA-UHFFFAOYSA-N- Molecular formula
- C17H17NO4
- Average molar mass
- 299.32 g/mol
- Monoisotopic mass
- 299.11575802
Names & identifiers
- Preferred name
- 2-[3-(4-Methoxyphenyl)propanamido]benzoic acid
- IUPAC
- 2-[3-(4-methoxyphenyl)propanoylamino]benzoic acid
- English name
- 1-ISOPROPYL-6-METHYL-1H-PYRAZOLO[3,4-B]PYRIDINE-4-CARBOXYLIC ACID
- Molecular formula
- C11H13N3O2
- Molecular weight
- 219.24
Names & synonyms
692281-53-12-[3-(4-methoxyphenyl)propanamido]benzoic acid2-(3-(4-Methoxyphenyl)propanamido)benzoic acidRefChem:454912827-664-12-[3-(4-methoxyphenyl)propanoylamino]benzoic Acid2-{[3-(4-methoxyphenyl)propanoyl]amino}benzoic acid2-([3-(4-Methoxyphenyl)propanoyl]amino)benzoic acidCHEMBL4515858SCHEMBL27549736STK090381AKOS000199106
Show more names
AKOS B024431AKOS BBS-00006216ART-CHEM-BB B024431ASINEX-REAG BAS 163588521-ISOPROPYL-6-METHYL-1H-PYRAZOLO[3,4-B]PYRIDINE-4-CARBOXYLIC ACID
CCG-356633CS-0230421ST45100463EN300-103822-(3-(4-Methoxyphenyl)propanamido)benzoicacidG31698Z57012208
Database identifiers
- CAS
692281-53-1- PubChem CID
- 890858
- ChEMBL
CHEMBL4515858- EC Number
- 827-664-1
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 377
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319-H315-H335
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
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 (100%): 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)
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302-H319-H315-H335
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers2 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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