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Structure

1,4-Dihydroxy-2-[[3-(2-methoxyethoxy)propyl]amino]anthraquinone

CAS
94313-79-8
Catalog Number
ACM94313798
Category
Other Products
Molecular Weight
371.383840 [g/mol]
Molecular Formula
C20H21NO6

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Specification

Synonyms
94313-79-8, 1,4-DIHYDROXY-2-[[3-(2-METHOXYETHOXY)PROPYL]AMINO]ANTHRAQUINONE, 1,4-Dihydroxy-2-((3-(2-methoxyethoxy)propyl)amino)anthraquinone, AGN-PC-000DXM, SureCN10595885, CTK5H6369, EINECS 304-978-2, AG-H-89410, 1,4-dihydroxy-2-[3-(2-methoxyethoxy)propylamino]anthracene-9,10-dione
IUPAC Name
1,4-dihydroxy-2-[3-(2-methoxyethoxy)propylamino]anthracene-9,10-dione
Canonical SMILES
COCCOCCCNC1=CC(=C2C(=C1O)C(=O)C3=CC=CC=C3C2=O)O
InChI Key
ZSFWKWLNASMXLT-UHFFFAOYSA-N
Boiling Point
605.2ºC at 760mmHg
Flash Point
319.8ºC
Density
1.372g/cm³
EC Number
304-978-2
Exact Mass
371.13700
H-Bond Acceptor
7
H-Bond Donor
3
What is the molecular formula of 1,4-Dihydroxy-2-[[3-(2-methoxyethoxy)propyl]amino]anthraquinone?

The molecular formula is C20H21NO6.

What is the molecular weight of 1,4-Dihydroxy-2-[[3-(2-methoxyethoxy)propyl]amino]anthraquinone?

The molecular weight is 371.4 g/mol.

What is the IUPAC name of 1,4-Dihydroxy-2-[[3-(2-methoxyethoxy)propyl]amino]anthraquinone?

The IUPAC name is 1,4-dihydroxy-2-[3-(2-methoxyethoxy)propylamino]anthracene-9,10-dione.

What is the InChI of 1,4-Dihydroxy-2-[[3-(2-methoxyethoxy)propyl]amino]anthraquinone?

The InChI is InChI=1S/C20H21NO6/c1-26-9-10-27-8-4-7-21-14-11-15(22)16-17(20(14)25)19(24)13-6-3-2-5-12(13)18(16)23/h2-3,5-6,11,21-22,25H,4,7-10H2,1H3.

What is the InChIKey of 1,4-Dihydroxy-2-[[3-(2-methoxyethoxy)propyl]amino]anthraquinone?

The InChIKey is ZSFWKWLNASMXLT-UHFFFAOYSA-N.

What is the canonical SMILES of 1,4-Dihydroxy-2-[[3-(2-methoxyethoxy)propyl]amino]anthraquinone?

The canonical SMILES is COCCOCCCNC1=CC(=C2C(=C1O)C(=O)C3=CC=CC=C3C2=O)O.

What is the CAS number of 1,4-Dihydroxy-2-[[3-(2-methoxyethoxy)propyl]amino]anthraquinone?

The CAS number is 94313-79-8.

How many hydrogen bond donor counts does 1,4-Dihydroxy-2-[[3-(2-methoxyethoxy)propyl]amino]anthraquinone have?

It has 3 hydrogen bond donor counts.

What is the XLogP3-AA value of 1,4-Dihydroxy-2-[[3-(2-methoxyethoxy)propyl]amino]anthraquinone?

The XLogP3-AA value is 3.3.

Is 1,4-Dihydroxy-2-[[3-(2-methoxyethoxy)propyl]amino]anthraquinone a canonicalized compound?

Yes, it is a canonicalized compound.

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