Basic information
- CAS
104768-37-8- Standard SMILES
Cc1cccc(NCc2ccccc2O)n1- InChIKey
AEENCSHKTVTKMV-UHFFFAOYSA-N- Molecular formula
- C13H14N2O
- Average molar mass
- 214.26 g/mol
- Monoisotopic mass
- 214.11061307
Overview
See also: Alpha-(6-methyl-2-pyridylamino)-O-cresol (annotation moved to).
Names & identifiers
- Preferred name
- 2-(((6-Methylpyridin-2-yl)amino)methyl)phenol
- IUPAC
- 2-[[(6-methyl-2-pyridinyl)amino]methyl]phenol
- English name
- CHEMBRDG-BB 9071156
- Molecular formula
- C13H14N2O
- Molecular weight
- 214.26
Names & synonyms
104768-37-82-(((6-Methylpyridin-2-yl)amino)methyl)phenol2-{[(6-METHYL-2-PYRIDINYL)AMINO]METHYL}PHENOL2-[[(6-methylpyridin-2-yl)amino]methyl]phenol2-{[(6-methylpyridin-2-yl)amino]methyl}phenolMFCD000234342-([(6-methyl-2-pyridinyl)amino]methyl)phenolMLS000034710HMS2314A222-[(6-Methyl-pyridin-2-ylamino)-methyl]-phenolCHEMBL1400985DTXSID40349561
Show more names
CHEMBRDG-BB 9071156ALPHA-(6-METHYL-2-PYRIDYLAMINO)-O-CRESOLPhenol, 2-[[(6-methyl-2-pyridinyl)amino]methyl]-2-{[(6-methyl-2-pyridinyl)amino]methyl}phenol(SALTDATA: FREE)
STK806477AKOS000505759BS-36843SMR000013295CS-0329769F316075
Database identifiers
- CAS
104768-37-8- PubChem CID
- 653133
- DTXSID
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 45.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 210
Physicochemical properties
- Melting point
- 97 °C · 97 °C
- Boiling point
- 377.9 · 377.9±32.0 °C(Predicted)
- Density
- 1.206 · 1.206±0.06 g/cm3(Predicted)
- pka
- 9.87 · 9.87±0.30(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318-H335-H315-H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362
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
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H318-H335-H315-H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers2 total
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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