1-Hydroxy-3-propylurea

HCID 269504

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Basic information

CAS: 5710-12-3
Standard SMILES: CCCNC(=O)NO
InChIKey: AFPCHXICZQCREU-UHFFFAOYSA-N
Molecular formula: C4H10N2O2
Average molar mass: 118.13 g/mol
Monoisotopic mass: 118.07422757

Names & identifiers

Preferred name: 1-Hydroxy-3-propylurea
IUPAC: 1-hydroxy-3-propylurea

Names & synonyms

N-hydroxy-N'-propylurea5710-12-3Urea, 1-hydroxy-3-propyl-1-hydroxy-3-propylureaNSC-110672NSC110672Urea,n-hydroxy-n-propyl-NY79DHE8WDUrea, N-hydroxy-N'-propyl-SCHEMBL5265304CHEMBL3274874SCHEMBL11693309

Show more names

DTXSID20296645AKOS006350932DS-012586

Database identifiers

CAS: 5710-12-3
PubChem CID: 269504
DTXSID: DTXSID20296645
ChEMBL: CHEMBL3274874
UNII: NY79DHE8WD
Nikkaji: J1.587.005B

Properties

Computed structural properties

XLogP: -0.2
Topological polar surface area: 61.4 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 8
Formal charge: 0
Complexity: 74.4

Experimental & physicochemical properties

LogP-0.22

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Compound notes

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