(E)-4-(Dimethylamino)-2-butenoic acid hydrochloride

C₆H₁₂ClNO₂CAS 848133-35-7165.62 g/mol

Open in Covalent MOL file

Alkene Carboxylic acid Tertiary amine

Properties

Molecular formula: C₆H₁₂ClNO₂
Molar mass: 165.62 g/mol
Exact mass: 165.0557 Da
logP: 0.61Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 3
Double bonds: EE/Z, in SMILES order

Identifiers

CAS number

848133-35-7

SMILES

CN(C)C/C=C/C(=O)O.Cl

InChIKey

UUHNQHFOIVLAQX-BJILWQEISA-N

InChI

InChI=1S/C6H11NO2.ClH/c1-7(2)5-3-4-6(8)9;/h3-4H,5H2,1-2H3,(H,8,9);1H/b4-3+;

Weigh it out

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

Names and synonyms

4 names

2-Butenoic acid, 4-(dimethylamino)-, hydrochloride (1:1), (2E)-
2-Butenoic acid, 4-(dimethylamino)-, hydrochloride, (2E)-
(2E)-4-(Dimethylamino)-2-butenoic acid hydrochloride
(2E)-4-(Dimethylamino)but-2-enoic acid hydrogenchloride

Work with (E)-4-(Dimethylamino)-2-butenoic acid hydrochloride

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

Same formula

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Elsewhere

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