Basic information
- CAS
496913-51-0- Standard SMILES
COc1cc(NC(=O)C2CC2)c(C(=O)O)cc1OC- InChIKey
JXGBRFGCGDKCCP-UHFFFAOYSA-N- Molecular formula
- C13H15NO5
- Average molar mass
- 265.26 g/mol
- Monoisotopic mass
- 265.09502258
Names & identifiers
- Preferred name
- 2-Cyclopropaneamido-4,5-dimethoxybenzoic acid
- IUPAC
- 2-(cyclopropanecarbonylamino)-4,5-dimethoxybenzoic acid
- English name
- 2-[(CYCLOPROPYLCARBONYL)AMINO]-4,5-DIMETHOXYBENZOIC ACID
- Molecular formula
- C13H15NO5
- Molecular weight
- 265.26
Names & synonyms
496913-51-02-cyclopropaneamido-4,5-dimethoxybenzoic acidRefChem:471041100-391-92-[(cyclopropylcarbonyl)amino]-4,5-dimethoxybenzoic acid2-(Cyclopropanecarboxamido)-4,5-dimethoxybenzoic acidMFCD030819772-(cyclopropanecarbonylamino)-4,5-dimethoxybenzoic acid2-((cyclopropylcarbonyl)amino)-4,5-dimethoxybenzoic acidMLS000113304Cambridge id 7063641CHEMBL1586086
Show more names
Benzoic acid, 2-[(cyclopropylcarbonyl)amino]-4,5-dimethoxy-2-(Cyclopropan-carboxcarboxamido)-4,5-dimethoxy-benzoic acidBenzoic acid, 2-[(cyclopropylcarbonyl)amino]-4,5-dimethoxy- (9CI, ACI)
WUA91351AC7626STK223768AKOS000117340CCG-114651SMR000097396SY014979DB-071038
Database identifiers
- CAS
496913-51-0- PubChem CID
- 804602
- ChEMBL
CHEMBL1586086
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 84.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 355
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H332
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
- HS Code
- 2924297099 · 2924297099
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
- hs_code
- 2924297099
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H312-H332
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
Chemistry & industry
Suppliers6 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
南京康满林化工实业有限公司025-83697070 13770331960 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海研邦医药科技有限公司15618536883 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…