chempirical

N-Nitrosodibutylamine

C8H18N2OCAS 924-16-3158.24 g/mol

Open in Covalent MOL file
NNO
Tertiary amine

Properties

Molecular formula
C8H18N2O
Molar mass
158.24 g/mol
Exact mass
158.1419 Da
Density
0.9009 g/mL (at 20 °C)
Melting point
below 25 °C
Boiling point
116 °C (at 14 Torr)
logP
2.57Crippen estimate
Polar surface area
32.7 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
7

Identifiers

CAS number
924-16-3
SMILES
CCCCN(CCCC)N=O
InChIKey
YGJHZCLPZAZIHH-UHFFFAOYSA-N
InChI
InChI=1S/C8H18N2O/c1-3-5-7-10(9-11)8-6-4-2/h3-8H2,1-2H3

Weigh it out

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

Names and synonyms

12 names
  • 1-Butanamine, N-butyl-N-nitroso-
  • Dibutylamine, N-nitroso-
  • N-Butyl-N-nitroso-1-butanamine
  • Dibutylnitrosamine
  • Di-n-butylnitrosamine
  • N,N-Dibutylnitrosamine
  • N-Nitrosodi-n-butylamine
  • Nitrosodibutylamine
  • N,N-Di-n-butylnitrosamine
  • N-Nitroso-N-di-n-butylamine
  • NSC 6830
  • NDBA

Work with N-Nitrosodibutylamine

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

N-Nitrosodipropylamine621-64-771 % similar N-Nitrosopyrrolidine930-55-265 % similar N-Nitrosodiethylamine55-18-548 % similar Tributylamine102-82-945 % similar N-Nitrosodiethanolamine1116-54-744 % similar 1-(N,N-Dimethylamino)butane927-62-842 % similar Tetrabutylurea4559-86-841 % similar N,N-Dibutylformamide761-65-941 % similar

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

Same formula

1-(2-Ethoxyethyl)piperazine13484-38-3 N-(2-Dimethylaminoethyl)morpholine4385-05-1 1-(3-Hydroxypropyl)-4-methylpiperazine5317-33-9 Octanoic hydrazide6304-39-8

Elsewhere

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