4,4-Dimethoxy-1-butanamine

C₆H₁₅NO₂CAS 19060-15-2133.19 g/mol

Open in Covalent MOL file

Acetal Ether Primary amine

Properties

Molecular formula: C₆H₁₅NO₂
Molar mass: 133.19 g/mol
Exact mass: 133.1103 Da
Boiling point: 76–77 °C (at 18 Torr)
logP: 0.34Crippen estimate
Polar surface area: 44.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 5

Hazards

Danger

H302 Harmful if swallowedAcute toxicity, oral
H314 Causes severe skin burns and eye damageSkin corrosion/irritation
H317 May cause an allergic skin reactionSensitization, Skin
H412 Harmful to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI, index 612-174-00-0), via PubChem.

Precautionary statements

P260, P261, P264, P270, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P333+P317, P362+P364, P363, P405, P501

Identifiers

CAS number

19060-15-2

SMILES

COC(CCCN)OC

InChIKey

TYVAXMOICMBSMT-UHFFFAOYSA-N

InChI

InChI=1S/C6H15NO2/c1-8-6(9-2)4-3-5-7/h6H,3-5,7H2,1-2H3

Weigh it out

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

Names and synonyms

9 names

1-Butanamine, 4,4-dimethoxy-
Butyraldehyde, 4-amino-, dimethyl acetal
Butylamine, 4,4-dimethoxy-
4-Aminobutanal dimethyl acetal
4-Aminobutyraldehyde dimethyl acetal
4,4-Dimethoxybutylamine
4,4-Bis(methyloxy)butylamine
γ-Aminobutyraldehyde dimethyl acetal
4,4-Dimethoxybutanamine

Work with 4,4-Dimethoxy-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4,4-Diethoxy-1-butanamine6346-09-454 % similar 4-Chloro-1,1-dimethoxybutane29882-07-352 % similar 1,1-Dimethoxyoctane10022-28-350 % similar 1,1-Dimethoxydecane7779-41-150 % similar 2-(2-Aminoethoxy)-1,1-dimethoxyethane1228258-40-948 % similar 4,4-Dimethoxy-N,N-dimethyl-1-butanamine19718-92-448 % similar Aminoacetaldehyde dimethyl acetal22483-09-648 % similar 1,1,3-Trimethoxypropane14315-97-044 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Tetramethylammonium acetate10581-12-1 Diisopropanolamine110-97-4 Bis(2-methoxyethyl)amine111-95-5 N-Ethyldiethanolamine139-87-7 2-[2-(Dimethylamino)ethoxy]ethanol1704-62-7 Dimethylacetamide dimethyl acetal18871-66-4 2,2-Dimethoxy-N,N-dimethylethanamine38711-20-5 Aminoacetaldehyde diethylacetal645-36-3

Elsewhere

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