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32211-97-5 molecular structure
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N,N-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine

ChemBase ID: 126590
Molecular Formular: C14H18N2
Molecular Mass: 214.30612
Monoisotopic Mass: 214.14699859
SMILES and InChIs

SMILES:
c12c(cccc1)[nH]c1c2CC(N(C)C)CC1
Canonical SMILES:
CN(C1CCc2c(C1)c1ccccc1[nH]2)C
InChI:
InChI=1S/C14H18N2/c1-16(2)10-7-8-14-12(9-10)11-5-3-4-6-13(11)15-14/h3-6,10,15H,7-9H2,1-2H3
InChIKey:
WZXJEMXDECWINY-UHFFFAOYSA-N

Cite this record

CBID:126590 http://www.chembase.cn/molecule-126590.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N,N-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine
IUPAC Traditional name
cyclindole
Synonyms
Ciclindole
CAS Number
32211-97-5
PubChem SID
162220920
PubChem CID
36082
Chemspider ID
33189
KEGG ID
D03619
Unique Ingredient Identifier
CXJ7G6BYD7
Wikipedia Title
Ciclindole

DATA SOURCES

DATA SOURCES

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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 17.088308  H Acceptors
H Donor LogD (pH = 5.5) -0.84490323 
LogD (pH = 7.4) 0.10340602  Log P 2.6103837 
Molar Refractivity 68.0545 cm3 Polarizability 27.323448 Å3
Polar Surface Area 19.03 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Pharmacology Properties Bioassay(PubChem)
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Legal Status
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DETAILS

DETAILS

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REFERENCES

REFERENCES

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PATENTS

PATENTS

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