(3α,4β)-3-Hydroxy-2,2-dimethyl-4-(2-oxopyrrolidine-1-yl)chroman-6-carbonitrile (CAS 94535-51-0) — formula C16H18N2O3, molecular weight 286.33; category organic chemicals.
| CAS Number | 94535-51-0 |
|---|---|
| Molecular Formula | C16H18N2O3 |
| Molecular Weight | 286.33 |
| LogP | 0.8 |
| Category | Organic Chemicals |
(3α,4β)-3-Hydroxy-2,2-dimethyl-4-(2-oxopyrrolidine-1-yl)chroman-6-carbonitrile is a carbon-based organic compound with CAS registry number 94535-51-0 and molecular formula C16H18N2O3 (molecular weight 286.33), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 94535-51-0
Its molecular formula C16H18N2O3 comprises 16 C, 18 H, 2 N, 3 O atoms.
Also known as: (3α,4β)-3-Hydroxy-2,2-dimethyl-4-(2-oxopyrrolidine-1-yl)chroman-6-carbonitrile · (3α,4β)-3-羟基-2,2-二甲基-4-(2-氧代吡咯烷-1-基)苯并二氢吡喃-6-甲腈
Category: organic chemicals
The CAS registry number of (3α,4β)-3-Hydroxy-2,2-dimethyl-4-(2-oxopyrrolidine-1-yl)chroman-6-carbonitrile is 94535-51-0.
Molecular formula C16H18N2O3, molecular weight 286.33.
It is also registered under: (3α,4β)-3-Hydroxy-2,2-dimethyl-4-(2-oxopyrrolidine-1-yl)chroman-6-carbonitrile, (3α,4β)-3-羟基-2,2-二甲基-4-(2-氧代吡咯烷-1-基)苯并二氢吡喃-6-甲腈.
Category: Organic Chemicals.
Independent reference data for (3α,4β)-3-Hydroxy-2,2-dimethyl-4-(2-oxopyrrolidine-1-yl)chroman-6-carbonitrile (CAS 94535-51-0), compiled from public chemistry databases.
| CAS 号 | 94535-51-0 |
|---|---|
| PubChem CID | 71191 |
| 分子式 | C16H18N2O3 |
| IUPAC 名称 | (3R,4S)-3-hydroxy-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)-3,4-dihydrochromene-6-carbonitrile |
| Molecular Weight | 286.33 |
|---|---|
| XLogP3 | 0.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 286.13174244 |
| Monoisotopic Mass | 286.13174244 |
| Topological Polar Surface Area | 73.6 |
| Heavy Atom Count | 21 |
(+)-Cromakalim; DTXSID301317350; 94535-51-0; RefChem:1048936; DTXCID501747167; Cromakalin; CHEMBL11684; (+/-)-cromakalim; (3R,4S)-3-hydroxy-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)-3,4-dihydro-2H-1-benzopyran-6-carbonitrile; (3R,4S)-3-hydroxy-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)-3,4-dihydrochromene-6-carbonitrile; NCGC00025132-01; NCGC00025132-02; Tocris-1377; Tocris-1378; SCHEMBL12833; orb1705038
(3α,4β)-3-羟基-2,2-二甲基-4-(2-氧代吡咯烷-1-基)苯并二氢吡喃-6-甲腈 · CAS 94535-51-0 · C16H18N2O3.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.