2H-Naphth(2,3-f)isoindole-2-propanoic acid, 4,11-diamino-1,3,5,10-tetrahydro-1,3,5,10-tetraoxo-, butyl ester
Basic information
- CAS
10110-15-3- Standard SMILES
CCCCOC(=O)CCn1c(=O)c2c(N)c3c(=O)c4ccccc4c(=O)c3c(N)c2c1=O- InChIKey
PUBJEJTZWACRIX-UHFFFAOYSA-N- Molecular formula
- C23H21N3O6
- Average molar mass
- 435.4 g/mol
- Monoisotopic mass
- 435.1430354
Overview
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Names & identifiers
- Preferred name
- 2H-Naphth(2,3-f)isoindole-2-propanoic acid, 4,11-diamino-1,3,5,10-tetrahydro-1,3,5,10-tetraoxo-, butyl ester
- IUPAC
- butyl 3-(4,11-diamino-1,3,5,10-tetraoxonaphtho[2,3-f]isoindol-2-yl)propanoate
- English name
- butyl 4,11-diamino-1,3,5,10-tetrahydro-2H-naphth[2,3-f]isoindole-2-propionate
- Molecular formula
- C23H29N3O2
- Molecular weight
- 379.49526
Names & synonyms
EINECS 233-303-32H-Naphth(2,3-f)isoindole-2-propanoic acid, 4,11-diamino-1,3,5,10-tetrahydro-1,3,5,10-tetraoxo-, butyl esterDTXSID20649492H-Naphth[2,3-f]isoindole-2-propanoic acid, 4,11-diamino-1,3,5,10-tetrahydro-1,3,5,10-tetraoxo-, butyl esterRefChem:484297DTXCID003260310110-15-3Butyl 4,11-diamino-1,3,5,10-tetrahydro-2H-naphth[2,3-f]isoindole-2-propionateButyl 4,11-diamino-1,3,5,10-tetrahydro-2H-naphth(2,3-f)isoindole-2-propionatePUBJEJTZWACRIX-UHFFFAOYSA-Nbutyl 3-(4,11-diamino-1,3,5,10-tetraoxonaphtho[2,3-f]isoindol-2-yl)propanoateNS00023023
Show more names
3-f]isoindole-2-propionic acid,4,11-diamino-1,3,5,10-tetrahydro-1,3,5,10-tetraoxo-2h-naphth[ butyl ester4,11-Diamino-1,3,5,10-tetrahydro-1,3,5,10-tetraoxo-2H-naphth[2,3-f]isoindole-2-propionic acid butyl ester2h-naphth[2,3-f]isoindole-2-propionic acid, 4,11-diamino-1,3,5,10-tetrahydro-1,5,10-tetraoxo- butyl ester
butyl 3-(4,11-diamino-1,3,5,10-tetraoxo-1,3,5,10-tetrahydro-2H-naphtho[2,3-f]isoindol-2-yl)propanoate
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 150 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 775
Physicochemical properties
- EPA Substance Registry System
- 2 H-Naphth[2,3-f]isoindole-2-propanoic · 2H-Naphth[2,3-f]isoindole-2-propanoic acid, 4,11-diamino-1,3,5,10-tetrahydro-1,3,5,10-tetraoxo-, butyl ester (10110-15-3)
- 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.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2H-Naphth[2,3-f]isoindole-2-propanoic acid, 4,11-diamino-1,3,5,10-tetrahydro-1,3,5,10-tetraoxo-, butyl ester: INACTIVE
Related reactions
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Compound notes
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