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C₁₇H₂₅NO₄CAS 55837-25-7307.39 g/mol

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Ether Ketone Tertiary amine

Properties

Molecular formula: C₁₇H₂₅NO₄
Molar mass: 307.39 g/mol
Exact mass: 307.1784 Da
logP: 2.77Crippen estimate
Polar surface area: 48.0 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 8

Identifiers

CAS number

55837-25-7

SMILES

COc1cc(OC)c(C(=O)CCCN2CCCC2)c(OC)c1

InChIKey

OWYLAEYXIQKAOL-UHFFFAOYSA-N

InChI

InChI=1S/C17H25NO4/c1-20-13-11-15(21-2)17(16(12-13)22-3)14(19)7-6-10-18-8-4-5-9-18/h11-12H,4-10H2,1-3H3

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Names and synonyms

2 names

1-Butanone, 4-(1-pyrrolidinyl)-1-(2,4,6-trimethoxyphenyl)-
4-(1-Pyrrolidinyl)-1-(2,4,6-trimethoxyphenyl)-1-butanone

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

Elsewhere

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