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118498-98-9 molecular structure
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N-benzyl-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine

ChemBase ID: 311250
Molecular Formular: C20H22N2
Molecular Mass: 290.40208
Monoisotopic Mass: 290.17829871
SMILES and InChIs

SMILES:
c12[nH]c3c(c1CCCC2NCc1ccccc1)cc(cc3)C
Canonical SMILES:
Cc1ccc2c(c1)c1CCCC(c1[nH]2)NCc1ccccc1
InChI:
InChI=1S/C20H22N2/c1-14-10-11-18-17(12-14)16-8-5-9-19(20(16)22-18)21-13-15-6-3-2-4-7-15/h2-4,6-7,10-12,19,21-22H,5,8-9,13H2,1H3
InChIKey:
QFDFWFMCDCUQNX-UHFFFAOYSA-N

Cite this record

CBID:311250 http://www.chembase.cn/molecule-311250.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-benzyl-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
IUPAC Traditional name
N-benzyl-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
Synonyms
N-benzyl-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CAS Number
118498-98-9
MDL Number
MFCD01545293

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) 1.7229437  LogD (pH = 7.4) 3.1683354 
Log P 4.7770452  Molar Refractivity 92.1056 cm3
Polarizability 36.96711 Å3 Polar Surface Area 27.82 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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