4,4-Diethoxy-1-butanamine

C8H19NO2CAS 6346-09-4161.25 g/mol

Open in Covalent MOL file
ONH2O
AcetalEtherPrimary amine

Properties

Molecular formula
C8H19NO2
Molar mass
161.25 g/mol
Exact mass
161.1416 Da
Boiling point
196 °C
logP
1.12Crippen estimate
Polar surface area
44.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
7

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number
6346-09-4
SMILES
CCOC(CCCN)OCC
InChIKey
GFLPSABXBDCMCN-UHFFFAOYSA-N
InChI
InChI=1S/C8H19NO2/c1-3-10-8(11-4-2)6-5-7-9/h8H,3-7,9H2,1-2H3

Weigh it out

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

Names and synonyms

8 names
  • 1-Butanamine, 4,4-diethoxy-
  • Butyraldehyde, 4-amino-, diethyl acetal
  • Butylamine, 4,4-diethoxy-
  • 4-Aminobutanal diethyl acetal
  • 4-Aminobutyraldehyde diethyl acetal
  • 4,4-Diethoxybutylamine
  • NSC 43756
  • γ-Aminobutryaldehyde diethyl acetal

Work with 4,4-Diethoxy-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

1-Amino-3,3-diethoxypropane41365-75-774 % similar 1,1-Diethoxyhexane3658-93-358 % similar 4-Chlorobutyraldehyde diethyl acetal6139-83-956 % similar 4,4-Dimethoxy-1-butanamine19060-15-254 % similar Aminoacetaldehyde diethylacetal645-36-352 % similar 4,4-Diethoxy-N,N-dimethyl-1-butanamine1116-77-452 % similar 3,3-Diethoxy-1-propanol16777-87-048 % similar 3-Chloro-1,1-diethoxypropane35573-93-448 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Butyldiethanolamine102-79-4 Diethylaminoethoxyethanol140-82-9 4,4-Dimethoxy-N,N-dimethyl-1-butanamine19718-92-4 tert-Butyldiethanolamine2160-93-2 2,2-Diethoxy-N,N-dimethylethanamine3616-56-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook