1-Butylimidazolidine-2,4,5-trione

HCID 544919
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Basic information

CAS
40408-40-0
Standard SMILES
CCCCN1C(=O)NC(=O)C1=O
InChIKey
CQGYXJXFUKOOHY-UHFFFAOYSA-N
Molecular formula
C7H10N2O3
Average molar mass
170.17 g/mol
Monoisotopic mass
170.06914219

Names & identifiers

Preferred name
1-Butylimidazolidine-2,4,5-trione
IUPAC
1-butylimidazolidine-2,4,5-trione
English name
1-Butylimidazolidine-2,4,5-trione
Molecular formula
C7H10N2O3
Molecular weight
170.17

Names & synonyms

1-butylimidazolidine-2,4,5-trione40408-40-01-Butyl-2,4,5-trioxoimidazolidine1-butylimidazolidinetrioneImidazolidinetrione, butyl-SCHEMBL2728279DTXSID70337830QBA40840AKOS0089671211-Butyl-2,4,5-imidazolidinetrione #CS-0220914EN300-07870
Show more names
2,4,5-Imidazolidinetrione, 1-butyl-
G34889Z56960325

Database identifiers

CAS
40408-40-0
PubChem CID
544919
DTXSID
DTXSID70337830
Nikkaji
J542.131D

Properties

Computed structural properties

XLogP
0.5
Topological polar surface area
66.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
12

Physicochemical properties

Melting point
97 · 97-98 °C
Density
1.252 · 1.252±0.06 g/cm3(Predicted)
pka
6.42 · 6.42±0.20(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Suppliers5 total

Ryan Scientific, Inc.[email protected]
圣克鲁斯生物技术（上海）有限公司021-60936350 · [email protected]
爱必信（上海）生物科技有限公司021-38015121-8802 · [email protected]
ENAMINE-CHI[email protected]
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]

Related reactions

1 records
New reaction record

Compound notes

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