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6672-69-1 molecular structure
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9-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene

ChemBase ID: 310922
Molecular Formular: C14H13N
Molecular Mass: 195.25972
Monoisotopic Mass: 195.10479942
SMILES and InChIs

SMILES:
c12c3c(CNCc1cccc2)cccc3
Canonical SMILES:
c1ccc2c(c1)c1ccccc1CNC2
InChI:
InChI=1S/C14H13N/c1-3-7-13-11(5-1)9-15-10-12-6-2-4-8-14(12)13/h1-8,15H,9-10H2
InChIKey:
FHYFQRCUSZETDW-UHFFFAOYSA-N

Cite this record

CBID:310922 http://www.chembase.cn/molecule-310922.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
9-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene
IUPAC Traditional name
9-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene
Synonyms
6,7-dihydro-5H-dibenzo[c,e]azepine
CAS Number
6672-69-1
MDL Number
MFCD01731347

DATA SOURCES

DATA SOURCES

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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.18271363  LogD (pH = 7.4) 1.1369532 
Log P 2.9300473  Molar Refractivity 62.9968 cm3
Polarizability 25.950445 Å3 Polar Surface Area 12.03 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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