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322724-26-5 molecular structure
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(9-ethyl-9H-carbazol-3-yl)methanamine

ChemBase ID: 115205
Molecular Formular: C15H16N2
Molecular Mass: 224.30094
Monoisotopic Mass: 224.13134852
SMILES and InChIs

SMILES:
n1(c2c(c3c1cccc3)cc(cc2)CN)CC
Canonical SMILES:
NCc1ccc2c(c1)c1ccccc1n2CC
InChI:
InChI=1S/C15H16N2/c1-2-17-14-6-4-3-5-12(14)13-9-11(10-16)7-8-15(13)17/h3-9H,2,10,16H2,1H3
InChIKey:
ZBQDOOFHOCKVEX-UHFFFAOYSA-N

Cite this record

CBID:115205 http://www.chembase.cn/molecule-115205.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(9-ethyl-9H-carbazol-3-yl)methanamine
IUPAC Traditional name
(9-ethylcarbazol-3-yl)methanamine
Synonyms
C-(9-Ethyl-9H-carbazol-3-yl)-methylamine
CAS Number
322724-26-5
MDL Number
MFCD08061541
PubChem SID
162099986
PubChem CID
10944107

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Life Chemicals
F2135-0348 external link Add to cart Please log in.
Data Source Data ID
PubChem 10944107 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.17952535  LogD (pH = 7.4) 0.84016395 
Log P 2.7971382  Molar Refractivity 71.5909 cm3
Polarizability 30.259127 Å3 Polar Surface Area 30.95 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Partition Coefficient
3.731 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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