3-Pyridinemethanol, 5-hydroxy-6-methyl-4-(((2-methylphenyl)imino)methyl)-, alpha-(dihydrogen phosphate)
Basic information
- CAS
401629-24-1- Standard SMILES
Cc1ccccc1N=Cc1c(COP(=O)(O)O)cnc(C)c1O- InChIKey
YGXRGSRQYFPNAJ-UHFFFAOYSA-N- Molecular formula
- C15H17N2O5P
- Average molar mass
- 336.28 g/mol
- Monoisotopic mass
- 336.08750864
Names & identifiers
- Preferred name
- 3-Pyridinemethanol, 5-hydroxy-6-methyl-4-(((2-methylphenyl)imino)methyl)-, alpha-(dihydrogen phosphate)
- IUPAC
- [5-hydroxy-6-methyl-4-[(2-methylphenyl)iminomethyl]-3-pyridinyl]methyl dihydrogen phosphate
Names & synonyms
401629-24-13-Pyridinemethanol, 5-hydroxy-6-methyl-4-(((2-methylphenyl)imino)methyl)-, alpha-(dihydrogen phosphate)3-Pyridinemethanol, 5-hydroxy-6-methyl-4-[[(2-methylphenyl)imino]methyl]-, alpha-(dihydrogen phosphate)RefChem:2823313-Pyridinemethanol, 5-hydroxy-6-methyl-4-[[(2-methylphenyl)imino]methyl]-, .alpha.-(dihydrogen phosphate)927-752-0DTXSID001114230AKOS005385609(5-Hydroxy-6-methyl-4-{[(2-methylphenyl)imino]methyl}pyridin-3-yl)methyl dihydrogen phosphate3-Pyridinemethanol, 5-hydroxy-6-methyl-4-[[(2-methylphenyl)imino]methyl]-, I+/--(dihydrogen phosphate)
Database identifiers
- CAS
401629-24-1- PubChem CID
- 3962307
- DTXSID
DTXSID001114230- EC Number
- 927-752-0
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 455
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (2 of 2) of all reports.
Not Classified
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationREACH registered substance: 3-Pyridinemethanol, 5-hydroxy-6-methyl-4-[[(2-methylphenyl)imino]methyl]-, α-(dihydrogen phosphate) (EC: 927-752-0)
Hazard Classes and CategoriesNot Classified
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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