N-(Hydroxymethyl)nicotinamide - CAS 3569-99-1
Catalog: |
BB022731 |
Product Name: |
N-(Hydroxymethyl)nicotinamide |
CAS: |
3569-99-1 |
Synonyms: |
N-(hydroxymethyl)pyridine-3-carboxamide |
IUPAC Name: | N-(hydroxymethyl)pyridine-3-carboxamide |
Description: | N-(Hydroxymethyl)nicotinamide is an antimicrobial agent. |
Molecular Weight: | 152.15 |
Molecular Formula: | C7H8N2O2 |
Canonical SMILES: | C1=CC(=CN=C1)C(=O)NCO |
InChI: | InChI=1S/C7H8N2O2/c10-5-9-7(11)6-2-1-3-8-4-6/h1-4,10H,5H2,(H,9,11) |
InChI Key: | JRFKIOFLCXKVOT-UHFFFAOYSA-N |
Boiling Point: | 428 °C |
Density: | 1.262 g/cm3 |
MDL: | MFCD00010437 |
LogP: | 0.15210 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112358477-A | Medicine for treating cholecystitis and preparation method thereof | 20201110 |
WO-2021204701-A1 | Rapid detection of viral infection using rt-pcr | 20200408 |
US-10980756-B1 | Methods of treatment | 20200316 |
WO-2021188564-A1 | Methods of treating covid-19 with a niclosamide compound | 20200316 |
WO-2021175275-A1 | Hydrophobically modified albumin, preparation method therefor, and application thereof | 20200306 |
PMID | Publication Date | Title | Journal |
23571415 | 20130601 | Structure-based identification of OATP1B1/3 inhibitors | Molecular pharmacology |
18980139 | 20080901 | Thin-layer chromatography-densitometric measurements for determination of N-(hydroxymethyl)nicotinamide in tablets and stability evaluation in solutions | Journal of AOAC International |
Complexity: | 138 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 152.058577502 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 152.058577502 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 62.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.6 |
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Pyridines
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