1-[2,2-Bis(2-methylpropoxymethyl)butoxy]propan-2-amine

CAS 39423-51-3  ·  C17H37NO3  ·  MW 303.5 g/mol

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3D model 1-[2,2-Bis(2-methylpropoxymethyl)butoxy]propan-2-amine, CAS 39423-51-3, molecular formula C17H37NO3, molar mass 303.5 g/mol
About 1-[2,2-Bis(2-methylpropoxymethyl)butoxy]propan-2-amine

1-[2,2-Bis(2-methylpropoxymethyl)butoxy]propan-2-amine is a chemical compound registered under number CAS 39423-51-3, with the molecular formula C17H37NO3, and a molar mass of 303.5 g/mol.

The molecule contains 58 atoms connected by 57 chemical bonds. The full systematic IUPAC name of this compound is 1-[2,2-bis(2-methylpropoxymethyl)butoxy]propan-2-amine. The interactive 3D model above lets you view the spatial arrangement of the atoms — you can rotate it with the mouse, zoom with the scroll wheel, and switch between skeletal / Ball & Stick / Space Fill visualization modes.

In terms of physicochemical properties, the partition coefficient logP = 2.9 (positive value, a lipophilic compound), polar surface area PSA = 53.7 Ų, 1 donors and 4 hydrogen bond acceptors. These parameters are key when assessing bioavailability and interaction with biomolecules.

Chemical data for this compound comes from PubChem (NIH NLM NCBI), one of the world's largest chemical databases. All information is updated automatically and enriched with GHS hazard statement translations compliant with the CLP Regulation (EC 1272/2008). The widget above may be used for educational, research and commercial purposes.

Physicochemical properties
Molecular formulaC17H37NO3
Masa molowa303.5 g/mol
IUPAC1-[2,2-bis(2-methylpropoxymethyl)butoxy]propan-2-amine
SMILESCCC(COCC(C)C)(COCC(C)C)COCC(C)N
InChIKeySRYMBUMLIMKZJO-UHFFFAOYSA-N
logP (XLogP3)2.9
PSA53.7 Ų
HBD / HBA1 / 4
PubChem CIDCID 154824843 ↗
Scientific literature

Related literature

16 articles · 4 open access · Sources: PubMed, OpenAlex, Semantic Scholar

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Dane z PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary wygenerowane przez Semantic Scholar TLDR. Artykuły z ikoną wymagają płatnego dostępu.

Synonyms
39423-51-3 · 1-[2,2-Bis(2-methylpropoxymethyl)butoxy]propan-2-amine · SRYMBUMLIMKZJO-UHFFFAOYSA-N · CID 154824843
Data sources
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License & Provenance

MolGod 3D molecular model
1-[2,2-Bis(2-methylpropoxymethyl)butoxy]propan-2-amine — CAS 39423-51-3

License: CC BY-SA 4.0 (source rights NIEUSTALONE — not yet granted for this model)

MolGod License & Provenance Record:
1-[2,2-Bis(2-methylpropoxymethyl)butoxy]propan-2-amine (CAS 39423-51-3) — License & Provenance

Source:
1-[2,2-Bis(2-methylpropoxymethyl)butoxy]propan-2-amine (CAS 39423-51-3) — MolGod molecule record

Source data: PubChem CID 154824843

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Source data: PubChem CID 154824843

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