2-[Butyl(methyl)amino]-N'-hydroxybenzenecarboximidamide

C₁₂H₁₉N₃OCAS 1021244-79-0221.30 g/mol

Open in Covalent MOL file

Amidine Oxime Tertiary amine

Properties

Molecular formula: C₁₂H₁₉N₃O
Molar mass: 221.30 g/mol
Exact mass: 221.1528 Da
logP: 2.02Crippen estimate
Polar surface area: 61.8 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 5
Double bonds: ZE/Z, in SMILES order

Identifiers

CAS number

1021244-79-0

SMILES

CCCCN(C)C1=CC=CC=C1/C(=N/O)/N

InChIKey

IBNWCZXWPRXPMK-UHFFFAOYSA-N

InChI

InChI=1S/C12H19N3O/c1-3-4-9-15(2)11-8-6-5-7-10(11)12(13)14-16/h5-8,16H,3-4,9H2,1-2H3,(H2,13,14)

Weigh it out

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

Work with 2-[Butyl(methyl)amino]-N'-hydroxybenzenecarboximidamide

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

2-(Diethylamino)-N'-hydroxybenzenecarboximidamide1021244-00-759 % similar 2-(Aminomethyl)-N-butyl-N-methylaniline1020988-06-050 % similar 2-(Butylphenylamino)ethanol3046-94-432 % similar 1-Tetralone oxime3349-64-231 % similar 2-(Aminomethyl)-N,N-dipropylaniline1020969-90-730 % similar

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

Same formula

Procarbazine671-16-9

Elsewhere

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