Basic information
- CAS
29415-71-2- Standard SMILES
CCN(CC)c1ccc2c(=O)[nH][nH]c(=O)c2c1- InChIKey
WNYLSNZNCJLARI-UHFFFAOYSA-N- Molecular formula
- C12H15N3O2
- Average molar mass
- 233.27 g/mol
- Monoisotopic mass
- 233.11642673
Overview
See also: 6-Diethylamino-2,3-dihydro-phthalazine-1,4-dione (annotation moved to).
Names & identifiers
- Preferred name
- 6-(Diethylamino)-2,3-dihydrophthalazine-1,4-dione
- IUPAC
- 6-(diethylamino)-2,3-dihydrophthalazine-1,4-dione
- English name
- 6-(diethylamino)-2,3-dihydrophthalazine-1,4-dione
- Molecular formula
- C12H15N3O2
- Molecular weight
- 233.27
Names & synonyms
6-(diethylamino)-2,3-dihydrophthalazine-1,4-dione29415-71-2QDPR-IN-11,4-Phthalazinedione, 6-(diethylamino)-2,3-dihydro-MFCD00157919TimTec1_0047691(2H)-Phthalazinone, 7-(diethylamino)-4-hydroxy-Oprea1_676637SCHEMBL3780116DTXSID10350700HMS1547I17STK408922
Show more names
ZINC000536356-diethylamino-2,3-dihydrophthalazine-1,4-quinone
6-(Diethylamino)phthalazine-1,4-diolAKOS005172436CS-0360909SR-010004480306-(diethylamino)-2,3-dihydro-1,4-phthalazinedione6-(diethylamino)-2,3-dihorb2646357ALBB-010066
Database identifiers
- CAS
29415-71-2- PubChem CID
- 686342
- DTXSID
DTXSID10350700
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 61.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 315
Physicochemical properties
- Density
- 1.212 · 1.212±0.06 g/cm3(Predicted)
- pka
- 10.84 · 10.84±0.20(Predicted)
- form
- Solid
- color
- Off-white to light yellow
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H302-H319-H315
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- HazardClass
- IRRITANT
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H335-H302-H319-H315
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Applications
UsesQDPR-IN-1 (Compound 9b) is a potent QDPR inhibitor with an IC50 of 0.72 μM[1].
Suppliers24 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
湖南嘉航医药科技有限公司85521272 18229978283 · [email protected]
Nantong HI-FUTURE Biology Co., Ltd.+86-18051384581 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
卓瑞宁（上海）科技有限公司18163338995 18163338995 · [email protected]
郑州研德生物科技有限公司0371-63682289 15538176268 · [email protected]
上海裕兰生物科技有限公司021-57171705 13817537615 · [email protected]
河南普赛化工产品有限公司0371-63357898 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
南京普鑫医药科技有限公司17366295326 · [email protected]
上海昂提生物科技有限公司13764913901 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
南通全益生物科技有限公司+86-0513; 18051384581 · [email protected]
郑州艾克姆化工有限公司037163312495 13303845143 · [email protected]
Aladdin Scientific[email protected]
沈阳莫德医药科技有限公司024-23982345 · [email protected]
河南拉瓦锡化工产品有限公司0371-63682289 18625781376 · [email protected]
Wuhan Topule Biopharmaceutical Co., Ltd+86-18327326525 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 18917919676 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Jiangsu Boquan Biotechnology Co., Ltd.+86-18168774353 · [email protected]
郑州灵之悦科技有限公司+86-0371-55074660 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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