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

C₁₀H₂₃NO₂CAS 1116-77-4189.30 g/mol

Open in Covalent MOL file

Acetal Ether Tertiary 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 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 8

Hazards

Danger

H315 Causes skin irritation14% of notifiers
H318 Causes serious eye damage84% of notifiers
H319 Causes serious eye irritation10% of notifiers
H335 May cause respiratory irritation12% of notifiers

Aggregated from 50 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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 3,3-Diethoxy-1-propanol16777-87-045 % similar 3-Chloro-1,1-diethoxypropane35573-93-445 % similar 1-Amino-3,3-diethoxypropane41365-75-745 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Tetraethylammonium acetate1185-59-7

Elsewhere

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