Basic information
- CAS
16849-91-5- Standard SMILES
CC(NC(N)=O)c1ccccc1- InChIKey
ALVBVEKNACPPAB-SSDOTTSWSA-N- Molecular formula
- C9H12N2O
- Average molar mass
- 164.2 g/mol
- Monoisotopic mass
- 164.09496301
Overview
RN given refers to (+)-isomer
Names & identifiers
- Preferred name
- alpha-(N-1-phenethyl)urea
- IUPAC
- 1-phenylethylurea
- English name
- (R)(+)-alpha-Phenethylurea
- Molecular formula
- C9H12N2O
- Molecular weight
- 164.2
Names & synonyms
alpha-(N-1-Phenethyl)ureaRefChem:11105216849-91-5(1-phenylethyl)urea1-(1-Phenylethyl)urea40589-84-2N-(1-phenylethyl)ureaNSC99137MFCD00014792NSC 99137SCHEMBL1244430SCHEMBL1950131
Show more names
(R)-1-(1-phenylethyl)urea(R)(+)-alpha-PhenethylureaUrea, N-[(1R)-1-phenylethyl]-
SCHEMBL7918332SCHEMBL7976779DTXSID20938013Urea, (1-phenylethyl)-, (R)-N-(1-Phenylethyl)carbamimidic acidNSC-99137AKOS000142575AKOS016895846
Database identifiers
- CAS
16849-91-5、17165-52-5- PubChem CID
- 98309
- Nikkaji
- J1.195.508H
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 153
Physicochemical properties
- Melting point
- 118 · 118-120 °C
- Boiling point
- 281.9 · 281.9±23.0 °C(Predicted)
- Density
- 1.101 · 1.101±0.06 g/cm3(Predicted)
- pka
- 13.41 · 13.41±0.46(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
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-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers7 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海安化生物技术有限公司021-61263375 18168859245
北京百维联创医药科技有限公司18601958187 · [email protected]
上海丝帆医药科技有限公司18916696128 · [email protected]
无锡迈默拓普生物科技有限公司15061806929 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
上海皓元医药股份有限公司021-58950125 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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