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Basic information
- CAS
109258-71-1- Standard SMILES
COC(=O)CCC(=O)CN1C(=O)c2ccccc2C1=O- InChIKey
KFILPVALWMTVMP-UHFFFAOYSA-N- Molecular formula
- C14H13NO5
- Average molar mass
- 275.26 g/mol
- Monoisotopic mass
- 275.07937252
Names & identifiers
- Preferred name
- Methyl 5-(1,3-dioxoisoindolin-2-yl)-4-oxopentanoate
- IUPAC
- methyl 5-(1,3-dioxoisoindol-2-yl)-4-oxopentanoate
- English name
- methyl 5-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-oxopentanoate
- Molecular formula
- C14H13NO5
- Molecular weight
- 275.26
Names & synonyms
109258-71-1Methyl 5-(1,3-Dioxo-2,3-dihydro-1H-isoindol-2-yl)-4-oxopentanoatemethyl 5-(1,3-dioxoisoindolin-2-yl)-4-oxopentanoateMethyl phthalimidolevulinateNSC-61910959T7E89YHOMethyl phthalimidolevulinate [USP]2H-Isoindole-2-pentanoic acid, 1,3-dihydro-gamma,1,3-trioxo-, methyl esterMETHYL PHTHALIMIDOLEVULINATE [USP IMPURITY]Methyl phthalimidolevulinate (USP)2H-ISOINDOLE-2-PENTANOIC ACID, 1,3-DIHYDRO-.GAMMA.,1,3-TRIOXO-, METHYL ESTERMETHYL PHTHALIMIDOLEVULINATE (USP IMPURITY)
Show more names
2H-Isoindole-2-pentanoic acid, 1,3-dihydro-γ,1,3-trioxo-, methyl esterAminolevulinic Acid Impurity 2 (Aminolevulinic Acid Related Compound B)Aminolevulinic Acid Related Compound B (Methyl 5-(1,3-dioxoisoindolin-2-yl)-4-oxopentanoate) (1025737)
RefChem:816645848-270-6Methyl 5-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-oxopentanoatemethyl 5-(1,3-dioxoisoindol-2-yl)-4-oxopentanoateAminolevulinic acid Related Compound BMFCD005918071,3-DIOXO-2-ISOINDOLINELEVULINIC ACID METHYL ESTERNSC619109
Properties
Computed structural propertiesFilling in
- XLogP
- 0.4
- Topological polar surface area
- 80.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 421
Physicochemical properties
- Melting point
- 90 · 90-93 °C
- Boiling point
- 428.1 · 428.1±25.0 °C(Predicted)
- Density
- 1.331 · 1.331±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform (Slightly), Methanol
- form
- Solid
- pka
- -2.52 · -2.52±0.20(Predicted)
- color
- White to Off-White
- FDA UNII
- 59 T7E89YHO · 59T7E89YHO
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 332 · H332-H319-H335-H302-H312-H315
- Precautionary statements
- 261 · P261-P271-P304+P340-P312-P264-P280-P305+P351+P338-P337+P313P-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933599550
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H332-H319-H335-H302-H312-H315
- REACH Registrations
- Active
- Precautionary statements
- P261-P271-P304+P340-P312-P264-P280-P305+P351+P338-P337+P313P-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
Chemistry & industry
Applications
UsesAminolevulinic Acid Related Compound B is a of 5-aminolevulinic acid (ALA) derivative used in photodynamic therapy and photodiagnosis.
Upstream & downstream products
Downstream products
Suppliers28 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
烟台凯博医药科技有限公司0535-6385396 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
上海尺水药物研究有限公司[email protected] 13564957716 · [email protected]
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
山东李比希生物医药科技有限公司
Related reactions
2 records
Compound notes
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