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22610-18-0 molecular structure
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2-phenylazetidine

ChemBase ID: 257778
Molecular Formular: C9H11N
Molecular Mass: 133.19034
Monoisotopic Mass: 133.08914936
SMILES and InChIs

SMILES:
N1C(c2ccccc2)CC1
Canonical SMILES:
C1CC(N1)c1ccccc1
InChI:
InChI=1S/C9H11N/c1-2-4-8(5-3-1)9-6-7-10-9/h1-5,9-10H,6-7H2
InChIKey:
CLNGGMJEJSANIE-UHFFFAOYSA-N

Cite this record

CBID:257778 http://www.chembase.cn/molecule-257778.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-phenylazetidine
IUPAC Traditional name
2-phenylazetidine
Synonyms
2-phenylazetidine
CAS Number
22610-18-0
MDL Number
MFCD06217591
PubChem SID
164313688
PubChem CID
568971

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 568971 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.7389123  LogD (pH = 7.4) -1.0322833 
Log P 1.4797965  Molar Refractivity 41.8726 cm3
Polarizability 16.69657 Å3 Polar Surface Area 12.03 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
1.375 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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