DL-Pantothenyl Alcohol (CAS 1113-70-8) — formula C9H17NO5, molecular weight 219.23; category organic chemicals.
DL-Pantothenyl Alcohol is a carbon-based organic compound with CAS registry number 1113-70-8 and molecular formula C9H17NO5 (molecular weight 219.23), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 1113-70-8
Its molecular formula C9H17NO5 comprises 9 C, 17 H, 1 N, 5 O atoms.
Also known as: DL-Pantothenyl Alcohol
Category: organic chemicals
The CAS registry number of DL-Pantothenyl Alcohol is 1113-70-8.
Molecular formula C9H17NO5, molecular weight 219.23.
It is also registered under: DL-Pantothenyl Alcohol.
Category: Organic Chemicals.
Public-database records for DL-Pantothenyl Alcohol (CAS 1113-70-8), reproduced here for independent cross-checking.
| GHS notification summary | 50% (1 / 2) |
|---|---|
| Reported hazard statements | H302 (50%), H315 (50%), H319 (50%), H335 (50%) |
This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
| GHS notification summary | 50% (1 / 2) |
|---|
| CAS Registry Number | 1113-70-8 |
|---|---|
| PubChem CID | 988 |
| 分子式 | C9H17NO5 |
| IUPAC 名称 | 3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoic acid |
| UNII（FDA） | 66Y94D1203 |
DTXSID7047229; (+-)-Pantothenic acid; RefChem:390768; DTXCID5027229; 599-54-2; DL-Pantothenic acid; 3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoic acid; Pantothenic Acid, Racemic; 66Y94D1203; ( inverted exclamation markA)-Pantothenic acid; N-(2,4-dihydroxy-3,3-dimethylbutanoyl)-beta-alanine; .beta.-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-; (+/-)-pantothenate;(+/-)-vitamin B5; pantothensaure; UNII-66Y94D1203; EINECS 209-965-4
| 分子量 | 219.23 |
|---|---|
| XLogP3 | -1.1 |
| 氢键供体数 | 4 |
| 氢键受体数 | 5 |
| 可旋转键数 | 6 |
| 精确质量 | 219.11067264 |
| 单同位素质量 | 219.11067264 |
| 拓扑极性表面积 | 107 |
| 重原子数 | 15 |
| 形式电荷 | 0 |
DL-Pantothenyl Alcohol · CAS 1113-70-8 · C9H17NO5. UNII 66Y94D1203.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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