Basic information
- CAS
28170-54-9- Standard SMILES
COc1cccc(NC(=O)N(C)C)c1- InChIKey
BGDUKFUILQWOAE-UHFFFAOYSA-N- Molecular formula
- C10H14N2O2
- Average molar mass
- 194.23 g/mol
- Monoisotopic mass
- 194.10552769
Names & identifiers
- Preferred name
- 3-(3-Methoxyphenyl)-1,1-dimethylurea
- IUPAC
- 3-(3-methoxyphenyl)-1,1-dimethylurea
- English name
- 1,1-Dimethyl-3-(3-methoxyphenyl)urea
- Molecular formula
- C10H14N2O2
- Molecular weight
- 194.23
Names & synonyms
3-(3-Methoxyphenyl)-1,1-dimethylurea28170-54-91-(3-methoxyphenyl)-3,3-dimethylureaUrea, 3-(m-methoxyphenyl)-1,1-dimethyl-N'-(3-METHOXYPHENYL)-N,N-DIMETHYLUREA1,1-DIMETHYL-3-(3-METHOXYPHENYL)UREASCHEMBL1931836CHEMBL2271013DTXSID30182444EBC-12543AKOS002313781N'-(3-Methoxyphenyl)-N,N-dimethylurea #
Show more names
Neostigmine bromide Impurity OUrea, N'-(3-methoxyphenyl)-N,N-dimethyl-
ST50322738(dimethylamino)-N-(3-methoxyphenyl)carboxamideEN300-8616598Z208334022
Database identifiers
- CAS
28170-54-9- PubChem CID
- 34178
- DTXSID
DTXSID30182444- ChEMBL
CHEMBL2271013- Nikkaji
- J554.028C
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 195
Experimental & physicochemical properties
LogP1.73
Physicochemical properties
- Melting point
- 152 · 152-153 °C
- Boiling point
- 364.8 · 364.8±34.0 °C(Predicted)
- Density
- 1.14 · 1.140±0.06 g/cm3(Predicted)
- pka
- 14.63 · 14.63±0.70(Predicted)
Chemistry & industry
Suppliers7 total
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
河南伊诺凯新材料有限公司13290191024 13290191024 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
天成化工(江苏)有限公司0512-66387919 18662433356 · [email protected]
南京博济达医药科技有限公司18762407961 · [email protected]
常州翔龙医药科技有限公司18661161657 · [email protected]
Related reactions
1 records
Compound notes
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