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149080-28-4 molecular structure
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4-(4-fluorophenyl)butan-1-amine

ChemBase ID: 804234
Molecular Formular: C10H14FN
Molecular Mass: 167.2232632
Monoisotopic Mass: 167.11102767
SMILES and InChIs

SMILES:
C(CCCc1ccc(cc1)F)N
Canonical SMILES:
NCCCCc1ccc(cc1)F
InChI:
InChI=1S/C10H14FN/c11-10-6-4-9(5-7-10)3-1-2-8-12/h4-7H,1-3,8,12H2
InChIKey:
VIYIIBCNUSHUSE-UHFFFAOYSA-N

Cite this record

CBID:804234 http://www.chembase.cn/molecule-804234.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(4-fluorophenyl)butan-1-amine
IUPAC Traditional name
4-(4-fluorophenyl)butan-1-amine
Synonyms
4-(4-FLUOROPHENYL)BUTAN-1-AMINE
CAS Number
149080-28-4

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O21111 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O21111 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) -0.60446644  LogD (pH = 7.4) -0.18448432 
Log P 2.4195147  Molar Refractivity 48.7048 cm3
Polarizability 18.790937 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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