1,4-Bis((1-methylethyl)amino)-9,10-anthracenedione

HCID 61719
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Substructure searchFind similar structures

Basic information

CAS
14233-37-5
Standard SMILES
CC(C)Nc1ccc(NC(C)C)c2c1C(=O)c1ccccc1C2=O
InChIKey
BLFZMXOCPASACY-UHFFFAOYSA-N
Molecular formula
C20H22N2O2
Average molar mass
322.4 g/mol
Monoisotopic mass
322.16812794

Names & identifiers

Preferred name
1,4-Bis((1-methylethyl)amino)-9,10-anthracenedione
IUPAC
1,4-bis(propan-2-ylamino)anthracene-9,10-dione
English name
Solvent Blue 36
Molecular formula
C20H22N2O2
Molecular weight
322.4

Names & synonyms

Solvent Blue 3614233-37-51,4-Bis(isopropylamino)anthraquinoneC.I. Solvent Blue 36C.I. Disperse Blue 134Anthraquinone, 1,4-bis(isopropylamino)-NEH7L3Y1P1NSC-580399,10-Anthracenedione, 1,4-bis((1-methylethyl)amino)-9,10-Anthracenedione, 1,4-bis[(1-methylethyl)amino]-RefChem:8881151,4-bis((1-methylethyl)amino)-9,10-anthracenedione
Show more names
S.B36Blue ACI 61551Oil Blue AOil Blue SOil Blue 36WAXOLINE BLUEabcolblueapfwArlasol Blue A
238-101-91,4-Bis(isopropylamino)anthracene-9,10-dioneUnisol Blue AS1,4-Bis(N-isopropylamino)anthraquinoneDuranol Blue PPWaxoline Blue APDisperse Blue 134C.i.solvent blue 36

Database identifiers

CAS
14233-37-5
PubChem CID
61719
DTXSID
DTXSID2041250
ChEMBL
CHEMBL3182568
UNII
NEH7L3Y1P1
EC Number
238-101-9
Nikkaji
J58.310C

Properties

Computed structural properties

XLogP
5.5
Topological polar surface area
58.2 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
24

Experimental & physicochemical properties

Collision Cross Section179.4 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID2041250]

Physicochemical properties

Melting point
176 · 176-178 °C
Boiling point
540.6 · 540.6±50.0 °C(Predicted)
Density
1.165 g/cm3 · 1.165 g/cm3
vapor pressure
0 · 0-0Pa at 20-25℃
storage temp.
2 · 2-8°C
solubility
0.01 g/10 · toluene: 0.01g/10 mL, blue to very deep blue

Safety & regulation

GHS classification

GHS Classification · 2 items

Not Classified

Aggregated GHS information provided per 232 reports by companies from 8 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory Information · 3 items

Chemical: 9,10-Anthracenedione, 1,4-bis[(1-methylethyl)amino]-

Status: Active Update: 30-03-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/30786

9,10-Anthracenedione, 1,4-bis[(1-methylethyl)amino]-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesNot Classified

Safety data

PPE
Eyeshields, Gloves, type N95 (US)
wgk
3
tsca
TSCA listed
Signal word
Warning
Symbol(GHS)
GHS07
Storage Class
11 - Combustible Solids

Chemistry & industry

Uses & manufacturing

General Manufacturing Information9,10-Anthracenedione, 1,4-bis[(1-methylethyl)amino]-: ACTIVE

Applications

Usesdiagnostic assay manufacturinghematologyhistology

Preparation methods

Preparation1,4-Dihydroxyanthracene-9,10-dione and Propan-2-amine(2 Moore) condensation.

Upstream & downstream products

Suppliers100 total

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]

Related reactions

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Compound notes

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