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5-Delta-Hydroxybutylhydantoin

CAT: 0572-TRC-H825000-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-H825000-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
5458-06-0
Hazard Statement
No Data Available
Smiles
OCCCCC1NC(=O)NC1=O
Molecular Formula
C7 H12 N2 O3
Molecular Weight
172.18
InChI
InChI=1S/C7H12N2O3/c10-4-2-1-3-5-6(11)9-7(12)8-5/h5,10H,1-4H2,(H2,8,9,11,12)
Additionnal Information
IUPAC name: 5-(4-hydroxybutyl)imidazolidine-2,4-dione
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

2,4-Imidazolidinedione, 5-(4-hydroxybutyl)-

5-(4-hydroxybutyl)hydantoin is an imidazolidine-2,4-dione substituted by a 4-hydroxybutyl group at position 5. It is a primary alcohol and an imidazolidine-2,4-dione.

CAS Number5458-06-0
PubChem CID95514
IUPAC Name5-(4-hydroxybutyl)imidazolidine-2,4-dione
Molecular FormulaC7H12N2O3
Molecular Weight172.18
XLogP-0.6
Topological Polar Surface Area78.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count12
Formal Charge0
Complexity193
SMILES
C(CCO)CC1C(=O)NC(=O)N1
InChI
InChI=1S/C7H12N2O3/c10-4-2-1-3-5-6(11)9-7(12)8-5/h5,10H,1-4H2,(H2,8,9,11,12)
InChIKey
SQKDMDCPJJTKKB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,4-Imidazolidinedione, 5-(4-hydroxybutyl)-
CAS: 5458-06-0
CID: 95514
Formula: C7H12N2O3
MW: 172.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight172.18
XLogP3-0.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass172.08479225
Monoisotopic Mass172.08479225
Topological Polar Surface Area78.4 Ų
Heavy Atom Count12
Formal Charge0
Complexity193
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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