黑色 (CAS 70516-41-5)

2-Anilino-3-methyl-6-(N-ethyl-N-isoamylamino)fluoran

CAS 70516-41-5  ·  C34H34N2O3  ·  MW 518.6 g/mol

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3D model 2-Anilino-3-methyl-6-(N-ethyl-N-isoamylamino)fluoran, CAS 70516-41-5, molecular formula C34H34N2O3, molar mass 518.6 g/mol
About 黑色 (CAS 70516-41-5)

黑色 (CAS 70516-41-5) is a chemical compound registered under number CAS 70516-41-5, with the molecular formula C34H34N2O3, and a molar mass of 518.6 g/mol.

The molecule contains 73 atoms connected by 78 chemical bonds. The full systematic IUPAC name of this compound is 2'-anilino-6'-[ethyl(3-methylbutyl)amino]-3'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one. 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 = 8.2 (positive value, a lipophilic compound), polar surface area PSA = 50.8 Ų, 1 donors and 5 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 sumarycznyC34H34N2O3
Masa molowa518.6 g/mol
IUPAC2'-anilino-6'-[ethyl(3-methylbutyl)amino]-3'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one
SMILESCCN(CCC(C)C)C1=CC2=C(C=C1)C3(C4=CC=CC=C4C(=O)O3)C5=C(O2)C=C(C(=C5)NC6=CC=CC=C6)C
InChIKeyHUSIBQLZEMMTCQ-UHFFFAOYSA-N
logP (XLogP3)8.2
PSA50.8 Ų
HBD / HBA1 / 5
PubChem CIDCID 112209 ↗
Scientific literature

Brak artykułów naukowych dla CAS 70516-41-5 w PubMed / OpenAlex / Semantic Scholar.

Synonyms
70516-41-5 · 2'-anilino-6'-[ethyl(3-methylbutyl)amino]-3'-methylspiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one · 6'-(N-Isoamyl-N-ethylamino)-3'-methyl-2'-phenylaminofluoran · EINECS 274-641-1 · Z9ZL7M98QS · S-205 · 2-Anilino-3-methyl-6-(N-ethyl-N-isoamylamino)fluoran · EC 274-641-1 · 3-(Ethylisoamylamino)-6-methyl-7-anilinofluoran · 2'-Anilino-6'-(ethyl(3-methylbutyl)amino)-3'-methylspiro(isobenzofuran-1(3H),9'-(9H)xanthene)-3-one · RefChem:465236 · DTXCID90816071 · 6'-(Ethyl(isopentyl)amino)-3'-methyl-2'-(phenylamino)-3H-spiro[isobenzofuran-1,9'-xanthen]-3-one · MFCD11044531 · C34H34N2O3
Data sources
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