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14233-37-5 molecular structure
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1,4-bis[(propan-2-yl)amino]-9,10-dihydroanthracene-9,10-dione

ChemBase ID: 154135
Molecular Formular: C20H22N2O2
Molecular Mass: 322.40088
Monoisotopic Mass: 322.16812795
SMILES and InChIs

SMILES:
CC(C)Nc1ccc(c2c1C(=O)c1ccccc1C2=O)NC(C)C
Canonical SMILES:
CC(Nc1ccc(c2c1C(=O)c1c(C2=O)cccc1)NC(C)C)C
InChI:
InChI=1S/C20H22N2O2/c1-11(2)21-15-9-10-16(22-12(3)4)18-17(15)19(23)13-7-5-6-8-14(13)20(18)24/h5-12,21-22H,1-4H3
InChIKey:
BLFZMXOCPASACY-UHFFFAOYSA-N

Cite this record

CBID:154135 http://www.chembase.cn/molecule-154135.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,4-bis[(propan-2-yl)amino]-9,10-dihydroanthracene-9,10-dione
IUPAC Traditional name
1,4-bis(isopropylamino)anthracene-9,10-dione
Synonyms
1,4-Bis(isopropylamino)anthraquinone
Disperse Blue 134
Solvent Blue 36
Unisol Blue AS
1,4-Bis(isopropylamino)anthracene-9,10-dione
1,4-bis(isopropylamino)anthraquinone
CAS Number
14233-37-5
EC Number
238-101-9
MDL Number
MFCD00045353
PubChem SID
162248274
24885887
PubChem CID
61719

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 61719 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.6460514  LogD (pH = 7.4) 4.7101464 
Log P 4.711028  Molar Refractivity 99.8734 cm3
Polarizability 36.638474 Å3 Polar Surface Area 58.2 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
95+% expand Show data source
98% expand Show data source
Grade
for microscopy expand Show data source
Empirical Formula (Hill Notation)
C20H22N2O2 expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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