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75232-44-9 molecular structure
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9-ethyl-3-[(2-methyl-2-phenylhydrazin-1-ylidene)methyl]-9H-carbazole

ChemBase ID: 158639
Molecular Formular: C22H21N3
Molecular Mass: 327.42224
Monoisotopic Mass: 327.17354769
SMILES and InChIs

SMILES:
CCn1c2ccccc2c2c1ccc(c2)/C=N/N(C)c1ccccc1
Canonical SMILES:
CCn1c2ccc(cc2c2c1cccc2)/C=N/N(c1ccccc1)C
InChI:
InChI=1S/C22H21N3/c1-3-25-21-12-8-7-11-19(21)20-15-17(13-14-22(20)25)16-23-24(2)18-9-5-4-6-10-18/h4-16H,3H2,1-2H3
InChIKey:
QYXUHIZLHNDFJT-UHFFFAOYSA-N

Cite this record

CBID:158639 http://www.chembase.cn/molecule-158639.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
9-ethyl-3-[(2-methyl-2-phenylhydrazin-1-ylidene)methyl]-9H-carbazole
IUPAC Traditional name
9-ethyl-3-[(2-methyl-2-phenylhydrazin-1-ylidene)methyl]carbazole
Synonyms
9-Ethyl-3-carbazolecarboxaldehyde-N-methyl-N-phenylhydrazone
CAS Number
75232-44-9
EC Number
278-144-0
MDL Number
MFCD00799310
PubChem SID
24879030
162252775
PubChem CID
9610378

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
548375 external link Add to cart Please log in.
Data Source Data ID
PubChem 9610378 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.1724367  LogD (pH = 7.4) 5.538267 
Log P 5.545653  Molar Refractivity 115.2445 cm3
Polarizability 41.983063 Å3 Polar Surface Area 20.53 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
129-133 °C(lit.) 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
Purity
98% expand Show data source
Empirical Formula (Hill Notation)
C22H21N3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 548375 external link
Application
Organic photoconductor. Charge transporting molecule for NLO applications.
Packaging
1 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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