Basic information
- CAS
4849-46-1- Standard SMILES
CN(C)C(=O)Nc1cccc(O)c1- InChIKey
HQSQPMWCWCOTBH-UHFFFAOYSA-N- Molecular formula
- C9H12N2O2
- Average molar mass
- 180.2 g/mol
- Monoisotopic mass
- 180.08987763
Overview
See also: 1,1-Dimethyl-3-(3-hydroxyphenyl)urea (annotation moved to).
Names & identifiers
- Preferred name
- 3-(3-Hydroxyphenyl)-1,1-dimethylurea
- IUPAC
- 3-(3-hydroxyphenyl)-1,1-dimethylurea
- English name
- 3-(3-hydroxyphenyl)-1,1-dimethyl-urea
- Molecular formula
- C9H12N2O2
- Molecular weight
- 180.2
Names & synonyms
3-(3-hydroxyphenyl)-1,1-dimethylurea4849-46-15109-50-23-Hydroxyfenuron1-(3-hydroxyphenyl)-3,3-dimethylureaUrea, N'-(3-hydroxyphenyl)-N,N-dimethyl-CHEMBL2271016m-hydroxyphenyl N,N-dimethylureaSCHEMBL10425058SCHEMBL11164480DTXSID40879530WZG0259
Show more names
Neostigmine Impurity 26Neostigmine bromide Impurity NN. N-dimethyl-3-hydroxyphenyl urea3-(3-hydroxyphenyl)-1,1-dimethyl-urea
HQSQPMWCWCOTBH-UHFFFAOYSA-NHMS1652B08AKOS002244192N'-(3-Hydroxyphenyl)-N,N-dimethylureaN-(3-hydroxyphenyl)-N',N'-dimethylureaNa(2)-(3-Hydroxyphenyl)-N,N-dimethylureaST50753509(dimethylamino)-N-(3-hydroxyphenyl)carboxamide
Database identifiers
- CAS
4849-46-1- PubChem CID
- 78562
- DTXSID
DTXSID40879530- ChEMBL
CHEMBL2271016- Nikkaji
- J1.117.359D
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 182
Experimental & physicochemical properties
LogP0.51
Physicochemical properties
- Melting point
- 200 · 200-201 °C
- Boiling point
- 398.8 · 398.8±34.0 °C(Predicted)
- Density
- 1.245 · 1.245±0.06 g/cm3(Predicted)
- pka
- 9.94 · 9.94±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
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
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers12 total
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
仙桃市丽昭医药科技有限公司18571672902 · [email protected]
NANJING YINGWEN BIOTECHNOLOGY CO LTD+8613382787392 · [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]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
南兴化工（江苏）有限公司0512-66387035 18662433356 · [email protected]
武汉爱默尔特科技有限公司027-888-4366503 13986279625 · [email protected]
常州英飒医药科技有限公司15151934985 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Related reactions
3 records
Compound notes
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