(5-Methyl-2-phenyl-2H-1,2,3-triazol-4-yl)methanol
Basic information
- CAS
13322-19-5- Standard SMILES
Cc1nn(-c2ccccc2)nc1CO- InChIKey
VYHJVMFMRIGUFV-UHFFFAOYSA-N- Molecular formula
- C10H11N3O
- Average molar mass
- 189.21 g/mol
- Monoisotopic mass
- 189.09021198
Names & identifiers
- Preferred name
- (5-Methyl-2-phenyl-2H-1,2,3-triazol-4-yl)methanol
- IUPAC
- (5-methyl-2-phenyltriazol-4-yl)methanol
- English name
- (5-Methyl-2-phenyl-2H-1,2,3-triazol-4-yl)methanol
- Molecular formula
- C10H11N3O
- Molecular weight
- 189.21
Names & synonyms
(5-Methyl-2-phenyl-2H-1,2,3-triazol-4-yl)methanol13322-19-5DTXSID60340277RefChem:209507DTXCID80291358(5-methyl-2-phenyltriazol-4-yl)methanol(5-methyl-2-phenyl-triazol-4-yl)methanol(5-methyl-2-phenyl-1,2,3-triazol-4-yl)methan-1-olSCHEMBL2012952-Phenyl-4-(hydroxymethyl)-5-methyl-2H-1,2,3-triazoleMFCD02682048SBB090963
Show more names
5-Methyl-2-phenyl-2H-1,2,3-triazol-4-methanol5-Methyl-2-phenyl-2H-1,2,3-triazole-4-methanol2H-1,2,3-Triazole-4-methanol, 5-methyl-2-phenyl-
AKOS006227828SDCCGMLS-0065990.P001BP-11085MS-22162CS-0324505(5-methyl-2-phenyl-1,2,3-triazol4-yl)methan-1-ol(5-Methyl-2-phenyl-2H-[1,2,3]triazol-4-yl)-methanol(5-Methyl-2-phenyl-2H-1,2,3-triazol-4-yl)methanol #
Database identifiers
- CAS
13322-19-5- PubChem CID
- 563195
- DTXSID
DTXSID60340277- Nikkaji
- J586.510G
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 50.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 182
Physicochemical properties
- Melting point
- 75 °C · 75 °C
- Boiling point
- 392 · 392.0±34.0 °C(Predicted)
- Density
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 12.99 · 12.99±0.10(Predicted)
- HS Code
- 2933998090 · 2933998090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933998090
Related reactions
5 records
Compound notes
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