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158943-22-7 molecular structure
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1-(3-chlorophenyl)cyclobutan-1-amine

ChemBase ID: 813331
Molecular Formular: C10H12ClN
Molecular Mass: 181.66198
Monoisotopic Mass: 181.06582707
SMILES and InChIs

SMILES:
C1(CCC1)(N)c1cc(ccc1)Cl
Canonical SMILES:
Clc1cccc(c1)C1(N)CCC1
InChI:
InChI=1S/C10H12ClN/c11-9-4-1-3-8(7-9)10(12)5-2-6-10/h1,3-4,7H,2,5-6,12H2
InChIKey:
ZSZAJZSGPJCTML-UHFFFAOYSA-N

Cite this record

CBID:813331 http://www.chembase.cn/molecule-813331.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(3-chlorophenyl)cyclobutan-1-amine
IUPAC Traditional name
1-(3-chlorophenyl)cyclobutan-1-amine
Synonyms
1-(3-CHLOROPHENYL)CYCLOBUTANAMINE
CAS Number
158943-22-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O34705 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O34705 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.46768308  LogD (pH = 7.4) 0.30702013 
Log P 2.5369608  Molar Refractivity 51.038 cm3
Polarizability 20.349922 Å3 Polar Surface Area 26.02 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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