chempirical

4,4-Diethoxy-N,N-dimethyl-1-butanamine

C10H23NO2CAS 1116-77-4189.30 g/mol

Open in Covalent MOL file
ONO
AcetalEtherTertiary amine

Properties

Molecular formula
C10H23NO2
Molar mass
189.30 g/mol
Exact mass
189.1729 Da
Boiling point
92–93 °C
logP
1.73Crippen estimate
Polar surface area
21.7 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
8

Identifiers

CAS number
1116-77-4
SMILES
CCOC(CCCN(C)C)OCC
InChIKey
QKXMWBLNSPNBEY-UHFFFAOYSA-N
InChI
InChI=1S/C10H23NO2/c1-5-12-10(13-6-2)8-7-9-11(3)4/h10H,5-9H2,1-4H3

Weigh it out

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

Names and synonyms

6 names
  • 1-Butanamine, 4,4-diethoxy-N,N-dimethyl-
  • Butyraldehyde, 4-(dimethylamino)-, diethyl acetal
  • 4,4-Diethoxy-N,N-dimethylbutylamine
  • 4,4-Diethoxy-N,N-dimethylbutanamine
  • 4-(Dimethylamino)butanal diethyl acetal
  • 1-(N,N-Dimethylamino)-4,4-diethoxybutane

Work with 4,4-Diethoxy-N,N-dimethyl-1-butanamine

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

4,4-Dimethoxy-N,N-dimethyl-1-butanamine19718-92-457 % similar 2,2-Diethoxy-N,N-dimethylethanamine3616-56-656 % similar 1,1-Diethoxyhexane3658-93-354 % similar 4-Chlorobutyraldehyde diethyl acetal6139-83-952 % similar 4,4-Diethoxy-1-butanamine6346-09-452 % similar 3-Chloro-1,1-diethoxypropane35573-93-445 % similar 1,1,3-Triethoxypropane7789-92-645 % similar 1,1,3,3-Tetraethoxypropane122-31-642 % similar

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

Same formula

Tetraethylammonium acetate1185-59-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook