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148960-36-5 molecular structure
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6-fluoro-2,3-dihydro-1H-inden-1-amine

ChemBase ID: 808588
Molecular Formular: C9H10FN
Molecular Mass: 151.1808032
Monoisotopic Mass: 151.07972755
SMILES and InChIs

SMILES:
NC1CCc2ccc(cc12)F
Canonical SMILES:
Fc1ccc2c(c1)C(N)CC2
InChI:
InChI=1S/C9H10FN/c10-7-3-1-6-2-4-9(11)8(6)5-7/h1,3,5,9H,2,4,11H2
InChIKey:
KZXWOWJBKSZXAL-UHFFFAOYSA-N

Cite this record

CBID:808588 http://www.chembase.cn/molecule-808588.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-fluoro-2,3-dihydro-1H-inden-1-amine
IUPAC Traditional name
6-fluoro-2,3-dihydro-1H-inden-1-amine
Synonyms
6-FLUORO-INDAN-1-YLAMINE
CAS Number
148960-36-5

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O26770 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O26770 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) -1.2098904  LogD (pH = 7.4) -0.34004012 
Log P 1.7859404  Molar Refractivity 42.3286 cm3
Polarizability 16.216478 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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