5-(4-Chlorobutyl)hydantoin
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Basic information
- CAS
40126-55-4- Standard SMILES
O=C1NC(=O)C(CCCCCl)N1- InChIKey
ZKHLVOULDIXSCC-UHFFFAOYSA-N- Molecular formula
- C7H11ClN2O2
- Average molar mass
- 190.63 g/mol
- Monoisotopic mass
- 190.0509053
Names & identifiers
- Preferred name
- 5-(4-Chlorobutyl)hydantoin
- IUPAC
- 5-(4-chlorobutyl)imidazolidine-2,4-dione
- English name
- 5-(4-CHLOROBUTYL)HYDANTOIN
- Molecular formula
- C7H11ClN2O2
- Molecular weight
- 190.63
Names & synonyms
5-(4-Chlorobutyl)hydantoin40126-55-45-(4-chlorobutyl)imidazolidine-2,4-dioneDTXSID20282003RefChem:1072449DTXCID80233157MFCD000597225-(4-chlorobutyl)-1,3-diazolidine-2,4-dioneNSC23787SCHEMBL8182786NSC-23787SBB055867
Show more names
5-(4-Chlorobutyl)hydantoin >5-(4-CHLOROBUTYL)HYDANTOIN 97+%4-bromo-5-oxo-5-phenylpentanoic acid2,4-Imidazolidinedione, 5-(4-chlorobutyl)-
AKOS025116874AS-64536SY051335DB-049534CS-0313541ST509500335-(4-Chlorobutyl)-2,4-imidazolidinedione #D89322
Database identifiers
- CAS
40126-55-4- PubChem CID
- 229807
- DTXSID
DTXSID20282003- Nikkaji
- J208.223C
Properties
Computed structural propertiesFilling in
- XLogP
- 0.7
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 196
Physicochemical properties
- Melting point
- 131 °C · 131°C
- Density
- 1.223 · 1.223±0.06 g/cm3(Predicted)
- pka
- 8.86 · 8.86±0.10(Predicted)
- form
- powder to crystal
- color
- White to Light yellow
- CAS DataBase Reference
- 40126 · 40126-55-4
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317-H319
- Precautionary statements
- 280 · P280-P305+P351+P338
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- HS Code
- 2933998090 · 2933998090
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
- hs_code
- 2933998090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36
- Hazard statements
- H317-H319
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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