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104821-25-2 molecular structure
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5-ethyl-6-phenyl-5,6-dihydrophenanthridine-3,8-diamine

ChemBase ID: 130849
Molecular Formular: C21H21N3
Molecular Mass: 315.41154
Monoisotopic Mass: 315.17354769
SMILES and InChIs

SMILES:
CCN1c2cc(ccc2c2ccc(cc2C1c1ccccc1)N)N
Canonical SMILES:
CCN1C(c2ccccc2)c2cc(N)ccc2c2c1cc(N)cc2
InChI:
InChI=1S/C21H21N3/c1-2-24-20-13-16(23)9-11-18(20)17-10-8-15(22)12-19(17)21(24)14-6-4-3-5-7-14/h3-13,21H,2,22-23H2,1H3
InChIKey:
XYJODUBPWNZLML-UHFFFAOYSA-N

Cite this record

CBID:130849 http://www.chembase.cn/molecule-130849.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-ethyl-6-phenyl-5,6-dihydrophenanthridine-3,8-diamine
IUPAC Traditional name
5-ethyl-6-phenyl-6H-phenanthridine-3,8-diamine
Synonyms
2,7-Diamino-10-ethyl-9-phenyl-9,10-dihydrophenanthridine
3,8-Diamino-5,6-dihydro-5-ethyl-6-phenylphenanthridine
Hydroethidine
Dihydroethidium
CAS Number
104821-25-2
MDL Number
MFCD00077335
Beilstein Number
5107482
PubChem SID
24894069
162225127
24863182
PubChem CID
128682

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 128682 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.8771515  LogD (pH = 7.4) 3.961764 
Log P 3.9629385  Molar Refractivity 102.6096 cm3
Polarizability 39.195328 Å3 Polar Surface Area 55.28 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
acetonitrile: soluble expand Show data source
methanol: soluble expand Show data source
Fluorescence
λex 358 nm; λem 461 nm expand Show data source
λex 392 nm; λem 410 nm in methanol expand Show data source
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
Storage Temperature
-20°C expand Show data source
Purity
≥95% expand Show data source
≥95% (HPCE) expand Show data source
Suitability
suitable for fluorescence expand Show data source
Product Line
BioReagent expand Show data source
Empirical Formula (Hill Notation)
C21H21N3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 37291 external link
Application
Redox indicator. Blue fluorescence until oxidized to ethidium.1
Linkage
B-ring reduced analog of ethidium
Sigma Aldrich - D7008 external link
Application
Redox indicator. Blue fluorescence until oxidized to ethidium.1
Linkage
B-ring reduced analog of ethidium
包装
Packaged under Argon.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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