(1S,2S)-N,N,N'-triMethyl-1,2-diaMinocyclohexane (CAS 1067631-36-0)

(1S,2S)-N1,N1,N2-Trimethylcyclohexane-1,2-diamine

CAS 1067631-36-0  ·  C9H20N2  ·  MW 156.27 g/mol

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3D model (1S,2S)-N1,N1,N2-Trimethylcyclohexane-1,2-diamine, CAS 1067631-36-0, molecular formula C9H20N2, molar mass 156.27 g/mol
About (1S,2S)-N,N,N'-triMethyl-1,2-diaMinocyclohexane (CAS 1067631-36-0)

(1S,2S)-N,N,N'-triMethyl-1,2-diaMinocyclohexane (CAS 1067631-36-0) is a chemical compound registered under number CAS 1067631-36-0, with the molecular formula C9H20N2, and a molar mass of 156.27 g/mol.

The molecule contains 31 atoms connected by 31 chemical bonds. The full systematic IUPAC name of this compound is trans-(1S,2S)-1-N,2-N,2-N-trimethylcyclohexane-1,2-diamine. 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 = 1.2 (positive value, a lipophilic compound), polar surface area PSA = 15.3 Ų, 1 donors and 2 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
Wzór sumarycznyC9H20N2
Masa molowa156.27 g/mol
IUPACtrans-(1S,2S)-1-N,2-N,2-N-trimethylcyclohexane-1,2-diamine
SMILESCN[C@H]1CCCC[C@@H]1N(C)C
InChIKeyMGFSHCOCJMZNSV-IUCAKERBSA-N
logP (XLogP3)1.2
PSA15.3 Ų
HBD / HBA1 / 2
PubChem CIDCID 70432374 ↗
Scientific literature

Related literature

20 artykułów · 18 open access · Źródła: 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
1067631-36-0 · (1S,2S)-N1,N1,N2-Trimethylcyclohexane-1,2-diamine · (1S,2S)-N,N,N'-trimethyl-1,2-diaminocyclohexane · MFCD20661988 · (1S,2S)-1-N,2-N,2-N-trimethylcyclohexane-1,2-diamine · SCHEMBL10742569 · SSB63136 · AKOS030627111 · CS-16760 · SY037480 · CS-0103075 · F547023 · (1S,2S)-N1,N2,N2-trimethylcyclohexane-1,2-diamine · (1S,2S)-N,N,N inverted exclamation mark -Trimethyl-1,2-diaminocyclohexane
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