compound introduction
3-吡啶甲醇是吡啶类化合物的一种，是吡啶在 3 位被羟甲基取代的衍生物。它具有血管扩张剂和降脂药物的作用。它是吡啶类和芳香族伯醇的成员。
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pyridin-3-ylmethanol
Dangerous GoodsCAS number：100-55-0 molecular formula：C6H7NO
overview
Specs
| Chinese alias | 烟醇 | 3-(羟甲基)吡啶 | 吡啶-3-甲醇 | ω-羟基-3-皮考啉 | ||
| English alias | Roniacol | Pyridine-3-carbinol | pyridin-3-ylmethanol | Pyridine-3-methanol | Pyridylcarbinol | 3-Pyridylcarbinol | 3-Pyridinylmethanol | Nicotinyl alcohol | beta-Pyridylcarbinol | 3-(Hydroxymethyl)pyridine | Nicotinic alcohol | 3-Pyridylmethanol | ||
| CAS number | 100-55-0 | molecular formula | C6H7NO |
| molecular weight | 109.13 | Exact mass | ≥98% |
| PSA | 33.1 | logp | 0.000 |
numbering system
| CAS | 100-55-0 |
| UNII | 9TF312056Y |
| HMDB ID | HMDB0245980 |
| KEGG ID | D05158 |
| ChEBI ID | 45213 |
| Wikidata | Q411732 |
| ChEMBL ID | CHEMBL1235535 |
| Wikipedia | Nicotinyl_alcohol |
| NSC Number | NSC Number: NSC526046 |
| AIDS Number | 160252 |
| DrugBank ID | DB04145 |
| DrugCentral | 1921 |
| PubChem CID | 7510 |
| Related CAS | 100-55-0(FREE BASE) |
| Nikkaji Number | J4.983B |
| NCI Thesaurus Code | C61860 |
| DSSTox Substance ID | DTXSID6023367 |
| Metabolomics Workbench ID | 122981 |
| European Community (EC) Number | 202-864-6 |
| PubChem Reference Collection SID | 505850056 |
| United States Adopted Name (USAN) | NICOTINYL ALCOHOL |
| MEP ID | _25Q1B3VMT |
physicochemical properties
| XLogP3 | 0 |
| Complexity | 65.5 |
| Exact Mass | 109.052763847 |
| Formal Charge | 0 |
| Vapor Pressure | 0.02 [mmHg] |
| Chemical Classes | Nitrogen Compounds -> Pyridines |
| Heavy Atom Count | 8 |
| Molecular Weight | 109.13 |
| Monoisotopic Mass | 109.052763847 |
| Isotope Atom Count | 0 |
| Physical Description | Highly hygroscopic liquid; Clear light yellow to yellow hygroscopic liquid; [Acros Organics MSDS] |
| Rotatable Bond Count | 1 |
| Dissociation Constants | iupacpka |
| Kovats Retention Index | Standard non-polar: 1119 |
| Collision Cross Section | 119.8 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID6023367] |
| Hydrogen Bond Donor Count | 1 |
| Covalently-Bonded Unit Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Topological Polar Surface Area | 33.1 Ų |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
Safety information
Hazards Summary：
No fetal toxicity observed in mice orally administered up to 1,000 mg/kg during organogenesis; [Shepard's Catalog of Teratogenic Agents] Intravenous LD50 (mouse) = 1,000 mg/kg; [RTECS] An irritant; Harmful by ingestion; [Acros Organics MSDS]
Ecotoxicity Values：
USDA APHIS Chemical Effects: collection=usda_chemeffect&query_type=synonym&query='^100-55-0$'
Regulatory Information：
New Zealand EPA Inventory of Chemical Status: 3-Pyridylmethanol: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories：
STOT SE 3 (86.7%)
Production methods and uses
purpose
Uses：
Sources/Uses: Used to solubilize riboflavin and as a peripheral vasodilator; Alcohol analog of nicotinic acid; A direct-acting peripheral vasodilator that is used in vasospasm and threatened gangrene; [ChemIDplus]
Use Classification：
Cosmetics -> Tonic
Related
upstream information
No upstream information yet
downstream information
No downstream information yet
MSDS
Found 1 shareMSDS
100-55-0 | 3-Pyridylmethanol.pdf
