chempirical

Dibutylurea

C9H20N2OCAS 1792-17-2172.27 g/mol

Open in Covalent MOL file
NHONH

Properties

Molecular formula
C9H20N2O
Molar mass
172.27 g/mol
Exact mass
172.1576 Da
Melting point
70.5–71 °C
Boiling point
115–120 °C
logP
2.09Crippen estimate
Polar surface area
44.6 Ų
H-bond donors / acceptors
2 / 1
Rotatable bonds
6

Identifiers

CAS number
1792-17-2
SMILES
CCCCN=C(O)NCCCC
InChIKey
AQSQFWLMFCKKMG-UHFFFAOYSA-N
InChI
InChI=1S/C9H20N2O/c1-3-5-7-10-9(12)11-8-6-4-2/h3-8H2,1-2H3,(H2,10,11,12)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names
  • Urea, N,N′-dibutyl-
  • Urea, 1,3-dibutyl-
  • N,N′-Dibutylurea
  • 1,3-Di-n-butylurea
  • 1,3-Dibutylurea
  • SRI 434-37
  • N,N′-Di-n-butylurea
  • NSC 131939

Work with Dibutylurea

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Tetrahydro-2(1H)-pyrimidinone1852-17-168 % similar N,N'-Di-N-butylthiourea109-46-658 % similar 1,3-Bis[3-(dimethylamino)propyl]urea52338-87-155 % similar 2-Imidazolidinone120-93-454 % similar Butylurea592-31-452 % similar N-Octadecylurea2158-08-945 % similar Tolbutamide64-77-743 % similar Bis(2-chloroethyl) ether-1,3-bis[3-(dimethylamino)propyl]urea copolymer68555-36-242 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-(4-Isopropylpiperazin-1-yl)ethanol103069-50-7 N,N,N′,N′-Tetraethylurea1187-03-7 1-(3-Methoxypropyl)-4-piperidinamine179474-79-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook