Home > Compound List > Compound details
764647-70-3 molecular structure
click picture or here to close

1-(3-fluorophenyl)cyclopropan-1-amine

ChemBase ID: 799079
Molecular Formular: C9H10FN
Molecular Mass: 151.1808032
Monoisotopic Mass: 151.07972755
SMILES and InChIs

SMILES:
C1(CC1)(N)c1cc(ccc1)F
Canonical SMILES:
Fc1cccc(c1)C1(N)CC1
InChI:
InChI=1S/C9H10FN/c10-8-3-1-2-7(6-8)9(11)4-5-9/h1-3,6H,4-5,11H2
InChIKey:
QVTZALHUUXQDTQ-UHFFFAOYSA-N

Cite this record

CBID:799079 http://www.chembase.cn/molecule-799079.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(3-fluorophenyl)cyclopropan-1-amine
IUPAC Traditional name
1-(3-fluorophenyl)cyclopropan-1-amine
Synonyms
1-(3-fluorophenyl)cyclopropanamine
CAS Number
764647-70-3

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O13277 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O13277 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) -1.3498758  LogD (pH = 7.4) -0.35871005 
Log P 1.6310494  Molar Refractivity 41.8486 cm3
Polarizability 16.293678 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

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle