标识与物理属性
| CAS No. | 137-08-6 |
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| 分子式 | C18H32CaN2O10 |
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| 平均分子量 | 476.5 g/mol |
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| 单同位素质量 | 476.1682862 g/mol |
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| SMILES | CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)[O-].CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)[O-].[Ca+2] |
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| InChIKey | FAPWYRCQGJNNSJ-UBKPKTQASA-L |
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| PubChem CID | 443753 |
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| ChEMBL | CHEMBL1901349 |
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| ChEBI | CHEBI:31345 |
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| EC No. | 205-278-9 |
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| DTXSID | DTXSID8040438 |
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化学与物理性质
| 极性表面积 | 219 |
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| 氢键供体 | 6 |
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| 氢键受体 | 10 |
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| 可旋转键 | 10 |
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| 重原子 | 31 |
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| 形式电荷 | 0 |
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| 复杂度 | 233 |
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| 化妆品 | Cosmetic ingredients (Calcium Pantothenate) -> CIR (Cosmetic Ingredient Review)Hair conditioningAntistatic |
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| 食品添加剂 | NUTRIENT SUPPLEMENT -> FDA Substance added to food |
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| Collision Cross Section | 204.26 Ų [M+H]+ [CCS Type: DTMethod: stepped-field] |
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安全与法规
| GHS 分类 | This chemical does not meet GHS hazard criteria for 100% (26 of 26) of all reports.Not ClassifiedAggregated GHS information provided per 26 reports by companies from 2 notifications to the ECHA C&L Inventory. |
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| 法规信息 | Chemical: .beta.-Alanine, N-[(2R)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl]-, calcium salt (2:1)Regulation (EC) No 1831/2003 (amended)Calcium Pantothenate: Does not have an individual approval but may be used under an appropriate group standard |
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| EPA Safer Chemical | Chemical: Calcium pantothenate |
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| Hazard Classes and Categories | Not Classified |
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| 毒性概述 | Safe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org |
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