Basic information
- CAS
56140-38-6- Standard SMILES
Cc1ccc(N(C)C)cc1O- InChIKey
WSDWYMFNPPZSJX-UHFFFAOYSA-N- Molecular formula
- C9H13NO
- Average molar mass
- 151.21 g/mol
- Monoisotopic mass
- 151.09971404
Names & identifiers
- Preferred name
- 5-(Dimethylamino)-2-methylphenol
- IUPAC
- 5-(dimethylamino)-2-methylphenol
- English name
- Phenol, 5-(dimethylamino)-2-methyl-
- Molecular formula
- C9H13NO
- Molecular weight
- 151.21
Names & synonyms
5-(dimethylamino)-2-methylphenol56140-38-6Phenol, 5-(dimethylamino)-2-methyl-Neostigmine impurity 285-Dimethylamino-o-cresolNeostigmine impurity 405-dimethylamino-2-methylphenolSCHEMBL1598733DTXSID20332613WSDWYMFNPPZSJX-UHFFFAOYSA-N5-(dimethylamino)-2-methyl-phenolMB23415
Database identifiers
- CAS
56140-38-6- PubChem CID
- 459236
- DTXSID
DTXSID20332613- Nikkaji
- J801.842A
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 125
Physicochemical properties
- Boiling point
- 285.6 · 285.6±20.0 °C(Predicted)
- Density
- 1.063 · 1.063±0.06 g/cm3(Predicted)
- pka
- 10.41 · 10.41±0.10(Predicted)
Chemistry & industry
Suppliers7 total
南京望知星医药科技有限公司18569809817 · [email protected]
上海澜克医药科技有限公司021-52216295 lankepharma · [email protected]
湖北扬信医药科技有限公司15374522761 · [email protected]
湖北摩科化学有限公司18627753421; 18627756402 · [email protected]
广州市震霖医药科技有限公司020-18102736 13622807357 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
广州奥司汀生物技术有限公司15918640830 13268843209 · [email protected]
Related reactions
1 records
Compound notes
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