(Z)-2-Methyl-2-butenoic acid [(1S,2R,7aS)-hexahydro-1-hydroxymethyl-1H-pyrrolizin-2-yl] ester (CAS 70474-33-8) — formula C13H21NO3, molecular weight 239.31; category organic chemicals.
| CAS Number | 70474-33-8 |
|---|---|
| Molecular Formula | C13H21NO3 |
| Molecular Weight | 239.31 |
| LogP | 1.3 |
| Category | Organic Chemicals |
(Z)-2-Methyl-2-butenoic acid [(1S,2R,7aS)-hexahydro-1-hydroxymethyl-1H-pyrrolizin-2-yl] ester is a carbon-based organic compound with CAS registry number 70474-33-8 and molecular formula C13H21NO3 (molecular weight 239.31), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 70474-33-8
Its molecular formula C13H21NO3 comprises 13 C, 21 H, 1 N, 3 O atoms.
Also known as: (Z)-2-Methyl-2-butenoic acid [(1S,2R,7aS)-hexahydro-1-hydroxymethyl-1H-pyrrolizin-2-yl] ester · (Z)-2-甲基-2-丁烯酸[(1S,2R,7aS)-六氢-1-羟甲基-1H-吡咯嗪-2-基]酯
Category: organic chemicals
The CAS registry number of (Z)-2-Methyl-2-butenoic acid [(1S,2R,7aS)-hexahydro-1-hydroxymethyl-1H-pyrrolizin-2-yl] ester is 70474-33-8.
Molecular formula C13H21NO3, molecular weight 239.31.
It is also registered under: (Z)-2-Methyl-2-butenoic acid [(1S,2R,7aS)-hexahydro-1-hydroxymethyl-1H-pyrrolizin-2-yl] ester, (Z)-2-甲基-2-丁烯酸[(1S,2R,7aS)-六氢-1-羟甲基-1H-吡咯嗪-2-基]酯.
Category: Organic Chemicals.
Independent reference data for (Z)-2-Methyl-2-butenoic acid [(1S,2R,7aS)-hexahydro-1-hydroxymethyl-1H-pyrrolizin-2-yl] ester (CAS 70474-33-8), compiled from public chemistry databases.
| CAS 号 | 70474-33-8 |
|---|---|
| PubChem CID | 6440436 |
| 分子式 | C13H21NO3 |
| IUPAC 名称 | [(1S,2R,8S)-1-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl] (Z)-2-methylbut-2-enoate |
| UNII（FDA） | 5F7O38APH6 |
| Molecular Weight | 239.31 |
|---|---|
| XLogP3 | 1.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 239.15214353 |
| Monoisotopic Mass | 239.15214353 |
| Topological Polar Surface Area | 49.8 |
| Heavy Atom Count | 17 |
Petasinine; 70474-33-8; 5F7O38APH6; [(1S,2R,8S)-1-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl] (Z)-2-methylbut-2-enoate; (1S,2R,7AS)-1-(HYDROXYMETHYL)-HEXAHYDRO-1H-PYRROLIZIN-2-YL (2Z)-2-METHYLBUT-2-ENOATE; 2-Butenoic acid, 2-methyl-, (1S,2R,7aS)-hexahydro-1-(hydroxymethyl)-1H-pyrrolizin-2-yl ester, (2Z)-; (1S,2R,7aS)-Hexahydro-1-(hydroxymethyl)-1H-pyrrolizin-2-yl (2Z)-2-methyl-2-butenoate; UNII-5F7O38APH6; (Z)-2-Methyl-2-butenoic acid [(1S,2R,7aS)-hexahydro-1-hydroxymethyl-1H-pyrrolizin-2-yl] ester; ANGELOYLPETASINECINE; PETASINECINE ANGELATE; orb1992264; SCHEMBL31047809; CHEBI:173729; DTXSID601128893; AKOS040734489
(Z)-2-甲基-2-丁烯酸[(1S,2R,7aS)-六氢-1-羟甲基-1H-吡咯嗪-2-基]酯 · CAS 70474-33-8 · C13H21NO3. UNII 5F7O38APH6.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.