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118499-01-7 molecular structure
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2-[(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)amino]ethan-1-ol

ChemBase ID: 311395
Molecular Formular: C15H20N2O
Molecular Mass: 244.3321
Monoisotopic Mass: 244.15756327
SMILES and InChIs

SMILES:
c12[nH]c3c(c1CCCC2NCCO)cc(cc3)C
Canonical SMILES:
OCCNC1CCCc2c1[nH]c1c2cc(cc1)C
InChI:
InChI=1S/C15H20N2O/c1-10-5-6-13-12(9-10)11-3-2-4-14(15(11)17-13)16-7-8-18/h5-6,9,14,16-18H,2-4,7-8H2,1H3
InChIKey:
GCWFAWCUZHGDPU-UHFFFAOYSA-N

Cite this record

CBID:311395 http://www.chembase.cn/molecule-311395.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)amino]ethan-1-ol
IUPAC Traditional name
2-[(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)amino]ethanol
Synonyms
2-[(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)amino]ethanol
CAS Number
118499-01-7
MDL Number
MFCD00584965

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 6046217 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.7102196  LogD (pH = 7.4) 0.70116276 
Log P 2.3624701  Molar Refractivity 73.7853 cm3
Polarizability 29.726757 Å3 Polar Surface Area 48.05 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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