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356082-25-2 molecular structure
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9-ethyl-3-(piperazin-1-ylmethyl)-9H-carbazole

ChemBase ID: 311259
Molecular Formular: C19H23N3
Molecular Mass: 293.40602
Monoisotopic Mass: 293.18919775
SMILES and InChIs

SMILES:
n1(c2c(c3c1cccc3)cc(CN1CCNCC1)cc2)CC
Canonical SMILES:
CCn1c2ccc(cc2c2c1cccc2)CN1CCNCC1
InChI:
InChI=1S/C19H23N3/c1-2-22-18-6-4-3-5-16(18)17-13-15(7-8-19(17)22)14-21-11-9-20-10-12-21/h3-8,13,20H,2,9-12,14H2,1H3
InChIKey:
FTPUWWDCTLDCJQ-UHFFFAOYSA-N

Cite this record

CBID:311259 http://www.chembase.cn/molecule-311259.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
9-ethyl-3-(piperazin-1-ylmethyl)-9H-carbazole
IUPAC Traditional name
9-ethyl-3-(piperazin-1-ylmethyl)carbazole
Synonyms
9-ethyl-3-(piperazin-1-ylmethyl)-9H-carbazole
CAS Number
356082-25-2
MDL Number
MFCD02040805

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.18605372  LogD (pH = 7.4) 1.1656348 
Log P 3.076838  Molar Refractivity 92.4156 cm3
Polarizability 38.384495 Å3 Polar Surface Area 20.2 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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