Basic information
- CAS
42900-95-8- Standard SMILES
Cc1cc(CN(C)C)cc(C)c1O- InChIKey
LCWKIAHCEIHHJE-UHFFFAOYSA-N- Molecular formula
- C11H17NO
- Average molar mass
- 179.26 g/mol
- Monoisotopic mass
- 179.13101417
Names & identifiers
- Preferred name
- Phenol, 4-[(dimethylamino)methyl]-2,6-dimethyl-
- IUPAC
- 4-[(dimethylamino)methyl]-2,6-dimethylphenol
- English name
- 4-[(dimethylamino)methyl]-2,6-xylenol
- Molecular formula
- C11H17NO
- Molecular weight
- 179.26
Names & synonyms
Phenol, 4-[(dimethylamino)methyl]-2,6-dimethyl-BRN 2719100alpha(sup 4)-(Dimethylamino)mesitolEINECS 255-991-42,6-Dimethyl-4-dimethylaminomethylphenolMESITOL, alpha(sup 4)-(DIMETHYLAMINO)-Phenol, 2,6-dimethyl-4-(dimethylaminomethyl)-Phenol, 4-((dimethylamino)methyl)-2,6-dimethyl-DTXSID60684304-13-00-01944 (Beilstein Handbook Reference)RefChem:861182DTXCID4040187
Show more names
4-[(dimethylamino)methyl]-2,6-xylenol2,6-Dimethyl-4-(dimethylaminomethyl)phenol
42900-95-84-[(DIMETHYLAMINO)METHYL]-2,6-DIMETHYLPHENOL4-((Dimethylamino)methyl)-2,6-xylenolFJE3UJV3G6N,N-dimethyl-4-aminomethyl-2,6-dimethylphenolSCHEMBL1716900AKOS017263024DA-21781
Database identifiers
- CAS
42900-95-8- PubChem CID
- 39355
- DTXSID
DTXSID6068430- UNII
- FJE3UJV3G6
- EC Number
- 255-991-4
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 146
Physicochemical properties
- Melting point
- 120 · 120-122 °C
- Boiling point
- 257 · 257.0±35.0 °C(Predicted)
- Density
- 1.012 · 1.012±0.06 g/cm3(Predicted)
- pka
- 10.6 · 10.60±0.36(Predicted)
- FDA UNII
- 3 UJV3G6 · FJE3UJV3G6
- EPA Substance Registry System
- 4 · Phenol, 4-[(dimethylamino)methyl]-2,6-dimethyl- (42900-95-8)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPhenol, 4-[(dimethylamino)methyl]-2,6-dimethyl-: ACTIVE
Suppliers1 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
11 records
Compound notes
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