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52131-82-5 molecular structure
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9-(oxiran-2-ylmethyl)-9H-carbazole

ChemBase ID: 58672
Molecular Formular: C15H13NO
Molecular Mass: 223.26982
Monoisotopic Mass: 223.09971404
SMILES and InChIs

SMILES:
c1ccc2c(c1)c1c(n2CC2CO2)cccc1
Canonical SMILES:
c1ccc2c(c1)n(CC1CO1)c1c2cccc1
InChI:
InChI=1S/C15H13NO/c1-3-7-14-12(5-1)13-6-2-4-8-15(13)16(14)9-11-10-17-11/h1-8,11H,9-10H2
InChIKey:
VAJIZAPXBKMPRO-UHFFFAOYSA-N

Cite this record

CBID:58672 http://www.chembase.cn/molecule-58672.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
9-(oxiran-2-ylmethyl)-9H-carbazole
IUPAC Traditional name
9-(oxiran-2-ylmethyl)carbazole
Synonyms
9-(Oxiran-2-ylmethyl)-9H-carbazole
CAS Number
52131-82-5
MDL Number
MFCD00218388
PubChem SID
162063435
PubChem CID
2775507

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.1558285  LogD (pH = 7.4) 3.1558285 
Log P 3.1558285  Molar Refractivity 67.1136 cm3
Polarizability 28.596397 Å3 Polar Surface Area 17.46 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Hydrophobicity(logP)
3.432 expand Show data source
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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