N'-(3-Acetyl-4-hydroxyphenyl)-N,N-diethylurea
Basic information
- CAS
79881-89-3- Standard SMILES
CCN(CC)C(=O)Nc1ccc(O)c(C(C)=O)c1- InChIKey
MDJCAAFMRNPNOF-UHFFFAOYSA-N- Molecular formula
- C13H18N2O3
- Average molar mass
- 250.29 g/mol
- Monoisotopic mass
- 250.13174244
Overview
structure given in first source; synthetic intermediate of celiprolol
Names & identifiers
- Preferred name
- N'-(3-Acetyl-4-hydroxyphenyl)-N,N-diethylurea
- IUPAC
- 3-(3-acetyl-4-hydroxyphenyl)-1,1-diethylurea
- English name
- Urea,N'-(3-Acetyl-4-hydroxyphenyl)-N,N-diethyl
- Molecular formula
- C13H18N2O3
- Molecular weight
- 250.29
Names & synonyms
3-(3-Acetyl-4-hydroxyphenyl)-1,1-diethylurea79881-89-3A-1354N'-(3-Acetyl-4-hydroxyphenyl)-N,N-diethylureaP86R34VDZ8A1354DTXSID30229944Urea, N'-(3-acetyl-4-hydroxyphenyl)-N,N-diethyl-RefChem:820480DTXCID80152435411-970-3Celiprolol EP Impurity F
Show more names
3-(3-Acetyl-4-hydroxyphenyl)-1,1-diN'-(3-ACETYL-4-HYDROXYPHENYL)-N,N-DIETHYL UREA
Celiprolol Hydrochloride EP Impurity FA 1354EC 411-970-3SCHEMBL10569212MDJCAAFMRNPNOF-UHFFFAOYSA-NAKOS015896513NS00005668N-(3-acetyl-4-hydroxyphenyl)-N',N'-diethylurea
Database identifiers
- CAS
79881-89-3- PubChem CID
- 133291
- DTXSID
DTXSID30229944- UNII
- P86R34VDZ8
- EC Number
- 411-970-3、641-764-0
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 303
Physicochemical properties
- Melting point
- 142 · 142-143℃ (acetone )
- Comptox DTXSID
- 30229944 · DTXSID30229944
- Symbol(GHS)
- 8 · GHS08,GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H373
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P260-P314-P501
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22-48/22
- Safety Statements
- 22 · 22-36
- HS Code
- 2924299090 · 2924299090
- REACH Registrations
- Inactive
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302: Harmful if swallowed [Warning Acute toxicity, oral]
P260, P264, P270, P301+P317, P319, P330, and P501 (click each P-code to see the statement)
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P264, P270, P301+P317, P319, P330, and P501 (click each P-code to see the statement)
Hazard information
Regulatory InformationREACH registered substance: 3-(3-acetyl-4-hydroxyphenyl)-1,1-diethylurea (EC: 411-970-3)
Hazard Classes and Categories
Acute Tox. 4 (100%)
Acute toxicity - category 4
Acute Tox. 4 *
Safety data
- hs_code
- 2924299090
- risk_code
- 22-48/22
- Signal word
- Warning
- Symbol(GHS)
- GHS08,GHS07
- hazard_code
- Xn
- safety_code
- 22-36
- Hazard statements
- H302-H373
- REACH Registrations
- Inactive
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P260-P314-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…