Basic information
- CAS
52821-24-6- Standard SMILES
O=C1c2cccc3c(NCCCO)ccc(c23)C(=O)N1CCCO- InChIKey
WPQGAQRPOWJJGT-UHFFFAOYSA-N- Molecular formula
- C18H20N2O4
- Average molar mass
- 328.4 g/mol
- Monoisotopic mass
- 328.14230712
Names & identifiers
- Preferred name
- 2-(3-Hydroxypropyl)-6-((3-hydroxypropyl)amino)-1H-benz(de)isoquinoline-1,3(2H)-dione
- IUPAC
- 2-(3-hydroxypropyl)-6-(3-hydroxypropylamino)benzo[de]isoquinoline-1,3-dione
- English name
- 2-(3-hydroxypropyl)-6-[(3-hydroxypropyl)amino]-1H-benz[de]isoquinoline-1,3(2H)-dione
- Molecular formula
- C18H20N2O4
- Molecular weight
- 328.36
Names & synonyms
52821-24-62-(3-hydroxypropyl)-6-[(3-hydroxypropyl)amino]-1h-benz[de]isoquinoline-1,3(2h)-dioneEINECS 258-203-7UNII-465RP3795J465RP3795JDAY-GLO MOHAWK YELLOW4-(3-Hydroxypropylamino)-naphthal(3-hydroxypropyl)imide1H-Benz[de]isoquinoline-1,3(2H)-dione, 2-(3-hydroxypropyl)-6-[(3-hydroxypropyl)amino]-2-(3-Hydroxypropyl)-6-((3-hydroxypropyl)amino)-1H-benz(de)isoquinoline-1,3(2H)-dioneDTXSID50413001H-Benz(de)isoquinoline-1,3(2H)-dione, 2-(3-hydroxypropyl)-6-((3-hydroxypropyl)amino)-2-(3-HYDROXYPROPYL)-6-((3-HYDROXYPROPYL)AMINO)NAPHTHALIMIDE
Show more names
1H-Benzdeisoquinoline-1,3(2H)-dione, 2-(3-hydroxypropyl)-6-(3-hydroxypropyl)amino-2-(3-Hydroxypropyl)-6-[(3-hydroxypropyl)amino]-1H-benzo[de]isoquinoline-1,3(2H)-dione
RefChem:84247DTXCID3021300258-203-72-(3-hydroxypropyl)-6-(3-hydroxypropylamino)benzo[de]isoquinoline-1,3-dione2-(3-Hydroxypropyl)-6-((3-hydroxypropyl)amino)-1H- benz(de)isoquinoline-1,3(2H)-dioneSCHEMBL1505152SCHEMBL30360198WPQGAQRPOWJJGT-UHFFFAOYSA-N
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 470
Physicochemical properties
- Melting point
- 210 · 210-211 °C(Solv: ethanol (64-17-5))
- Boiling point
- 617.4 · 617.4±55.0 °C(Predicted)
- Density
- 1.378 · 1.378±0.06 g/cm3(Predicted)
- vapor pressure
- 0 Pa · 0Pa at 25℃
- pka
- 14.88 · 14.88±0.10(Predicted)
- Water Solubility
- 52.81 mg/L · 52.81mg/L at 25℃
- LogP
- 1.28 at · 1.28 at 25℃
- FDA UNII
- 465 RP3795J · 465RP3795J
- EPA Substance Registry System
- 2 · 2-(3-Hydroxypropyl)-6-((3-hydroxypropyl)amino)-1H-benz(de)isoquinoline-1,3(2H)-dione (52821-24-6)
- TSCA
- TSCA listed
- REACH Registrations
- Inactive
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 ClassificationNot Classified
Hazard information
Regulatory Information
Chemical: 1H-Benz[de]isoquinoline-1,3(2H)-dione, 2-(3-hydroxypropyl)-6-[(3-hydroxypropyl)amino]-
REACH registered substance: 2-(3-hydroxypropyl)-6-[(3-hydroxypropyl)amino]-1H-benz[de]isoquinoline-1,3(2H)-dione (EC: 258-203-7)
1H-Benzdeisoquinoline-1,3(2H)-dione, 2-(3-hydroxypropyl)-6-(3-hydroxypropyl)amino-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
- REACH Registrations
- Inactive
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1H-Benz[de]isoquinoline-1,3(2H)-dione, 2-(3-hydroxypropyl)-6-[(3-hydroxypropyl)amino]-: ACTIVE
Suppliers5 total
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
河南威梯希化工科技有限公司0371-53370800 18037197114 · [email protected]
深圳市丽晶生化科技有限公司0755-85201366 18938635012 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…