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852804-23-0 molecular structure
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6-fluoro-1,2,3,4-tetrahydronaphthalen-2-amine

ChemBase ID: 812933
Molecular Formular: C10H12FN
Molecular Mass: 165.2073832
Monoisotopic Mass: 165.09537761
SMILES and InChIs

SMILES:
NC1CCc2c(ccc(c2)F)C1
Canonical SMILES:
NC1CCc2c(C1)ccc(c2)F
InChI:
InChI=1S/C10H12FN/c11-9-3-1-8-6-10(12)4-2-7(8)5-9/h1,3,5,10H,2,4,6,12H2
InChIKey:
DFJWRBBRNOCYRE-UHFFFAOYSA-N

Cite this record

CBID:812933 http://www.chembase.cn/molecule-812933.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-fluoro-1,2,3,4-tetrahydronaphthalen-2-amine
IUPAC Traditional name
6-fluoro-1,2,3,4-tetrahydronaphthalen-2-amine
Synonyms
6-FLUORO-1,2,3,4-TETRAHYDRO-NAPHTHALEN-2-YLAMINE
CAS Number
852804-23-0

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O33701 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O33701 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) -0.94514245  LogD (pH = 7.4) -0.41714138 
Log P 2.0746017  Molar Refractivity 47.0836 cm3
Polarizability 17.983194 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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