2-((1H-Benzotriazol-7-ylamino)methyl)-6-methoxyphenol
Basic information
- CAS
890091-56-2- Standard SMILES
COc1cccc(CNc2cccc3n[nH]nc23)c1O- InChIKey
MGXUVIOKUCMXNB-UHFFFAOYSA-N- Molecular formula
- C14H14N4O2
- Average molar mass
- 270.29 g/mol
- Monoisotopic mass
- 270.1116757
Names & identifiers
- Preferred name
- 2-((1H-Benzotriazol-7-ylamino)methyl)-6-methoxyphenol
- IUPAC
- 2-[(2H-benzotriazol-4-ylamino)methyl]-6-methoxyphenol
Names & synonyms
890091-56-22-[(1H-Benzotriazol-7-ylamino)methyl]-6-methoxyphenol2-((1H-Benzotriazol-7-ylamino)methyl)-6-methoxyphenolRefChem:2491452-(((1H-benzo[d][1,2,3]triazol-4-yl)amino)methyl)-6-methoxyphenol6-[(benzotriazol-4-ylamino)methyl]-2-methoxyphenolMGXUVIOKUCMXNB-UHFFFAOYSA-NDTXSID501214691MFCD06809607SBB012736STK785158AKOS005620476
Show more names
ST093994CS-03220322-[(1H-benzotriazol-4-ylamino)methyl]-6-methoxyphenol2-[(2H-benzotriazol-4-ylamino)methyl]-6-methoxy-phenol2-{[(1H-benzotriazol-4-yl)amino]methyl}-6-methoxyphenol2-{[(1H-Benzotriazol-7-yl)amino]methyl}-6-methoxyphenolPhenol, 2-[(1H-1,2,3-benzotriazol-4-ylamino)methyl]-6-methoxy-
Database identifiers
- CAS
890091-56-2- PubChem CID
- 6418756
- DTXSID
DTXSID501214691
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 318
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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