Basic information
- CAS
16472-09-6- Standard SMILES
COC(=O)CCc1ccc(Oc2cc(O)c3c(c2N)C(=O)c2ccccc2C3=O)c(C)c1- InChIKey
DFCPUQBIQUKULF-UHFFFAOYSA-N- Molecular formula
- C25H21NO6
- Average molar mass
- 431.4 g/mol
- Monoisotopic mass
- 431.13688739
Names & identifiers
- Preferred name
- Benzenepropanoic acid, 4-((1-amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthracenyl)oxy)-3-methyl-, methyl ester
- IUPAC
- methyl 3-[4-(1-amino-4-hydroxy-9,10-dioxoanthracen-2-yl)oxy-3-methylphenyl]propanoate
- English name
- methyl 3-[4-[(1-amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthryl)oxy]-m-tolyl]propionate
- Molecular formula
- C25H21NO6
- Molecular weight
- 431.44
Names & synonyms
Methyl 3-(4-((1-amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthryl)oxy)-m-tolyl)propionateEINECS 240-527-5DTXSID7074614Methyl 3-[4-[(1-amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthryl)oxy]-m-tolyl]propionateBenzenepropanoic acid, 4-[(1-amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthracenyl)oxy]-3-methyl-, methyl esterBenzenepropanoic acid, 4-((1-amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthracenyl)oxy)-3-methyl-, methyl esterRefChem:563628DTXCID0035291240-527-516472-09-6DFCPUQBIQUKULF-UHFFFAOYSA-Nmethyl 3-[4-(1-amino-4-hydroxy-9,10-dioxoanthracen-2-yl)oxy-3-methylphenyl]propanoate
Show more names
3-Methyl-4-[(1-amino-4-hydroxy-9,10-dihydro-9,10-dioxoanthracene-2-yl)oxy]benzenepropionic acid methyl ester4-[[(1-Amino-9,10-dihydro-4-hydroxy-9,10-dioxoanthracen)-2-yl]oxy]-3-methylbenzenepropanoic acid methyl ester
SCHEMBL12311504methyl 3-{4-[(1-amino-4-hydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)oxy]-3-methylphenyl}propanoateNS00025385
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 725
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- EPA Substance Registry System
- 4 · Benzenepropanoic acid, 4-[(1-amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthracenyl)oxy]-3-methyl-, methyl ester (16472-09-6)
- TSCA
- TSCA listed
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
This chemical does not meet GHS hazard criteria for 100% (9 of 9) of all reports.
Not Classified
Aggregated GHS information provided per 9 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Benzenepropanoic acid, 4-[(1-amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthracenyl)oxy]-3-methyl-, methyl ester
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenepropanoic acid, 4-[(1-amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthracenyl)oxy]-3-methyl-, methyl ester: ACTIVE
Suppliers1 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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