4-Diethylamino-2-butynyl acetate

C₁₀H₁₇NO₂CAS 22396-77-6183.25 g/mol

Open in Covalent MOL file

Alkyne Ester Tertiary amine

Properties

Molecular formula: C₁₀H₁₇NO₂
Molar mass: 183.25 g/mol
Exact mass: 183.1259 Da
Boiling point: 94 °C (at 0.5 Torr)
logP: 0.89Crippen estimate
Polar surface area: 29.5 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 4

Identifiers

CAS number

22396-77-6

SMILES

CCN(CC)CC#CCOC(C)=O

InChIKey

AQEDWWHCJSXKHP-UHFFFAOYSA-N

InChI

InChI=1S/C10H17NO2/c1-4-11(5-2)8-6-7-9-13-10(3)12/h4-5,8-9H2,1-3H3

Weigh it out

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

Names and synonyms

4 names

2-Butyn-1-ol, 4-(diethylamino)-, 1-acetate
2-Butyn-1-ol, 4-(diethylamino)-, acetate (ester)
2-Butyn-1-ol, 4-diethylamino-, acetate
1-Acetoxy-4-diethylamino-2-butyne

Work with 4-Diethylamino-2-butynyl acetate

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

1,4-Diacetoxy-2-butyne1573-17-764 % similar Ethyl acetate141-78-641 % similar Oxybutynin5633-20-540 % similar Glycol diacetate111-55-739 % similar Oxybutynin hydrochloride1508-65-238 % similar 1,3-Diacetoxypropane628-66-036 % similar Butylene glycol diacetate628-67-136 % similar Butyl acetate123-86-436 % similar

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

Same formula

1,1-Dimethylethyl 3-methylene-1-pyrrolidinecarboxylate114214-71-0 4-Aminobicyclo[2.2.2]octane-1-carboxylic acid methyl ester135908-33-7 N-1-Boc-amino-3-cyclopentene193751-54-1

Elsewhere

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