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625435-02-1 molecular structure
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N-[(2-fluorophenyl)methyl]cyclopropanamine

ChemBase ID: 13424
Molecular Formular: C10H12FN
Molecular Mass: 165.2073832
Monoisotopic Mass: 165.09537761
SMILES and InChIs

SMILES:
c1ccc(c(c1)CNC1CC1)F
Canonical SMILES:
Fc1ccccc1CNC1CC1
InChI:
InChI=1S/C10H12FN/c11-10-4-2-1-3-8(10)7-12-9-5-6-9/h1-4,9,12H,5-7H2
InChIKey:
UZYPFBRRGVZJNV-UHFFFAOYSA-N

Cite this record

CBID:13424 http://www.chembase.cn/molecule-13424.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[(2-fluorophenyl)methyl]cyclopropanamine
IUPAC Traditional name
N-[(2-fluorophenyl)methyl]cyclopropanamine
Synonyms
N-(2-Fluorobenzyl)cyclopropylamine
N-Cyclopropyl-2-fluorobenzylamine
N-(2-fluorobenzyl)cyclopropanamine
Cyclopropyl-(2-fluoro-benzyl)-amine
CAS Number
625435-02-1
MDL Number
MFCD04035532
PubChem SID
160976731
PubChem CID
1080490

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 1080490 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.7453195  LogD (pH = 7.4) 0.8834229 
Log P 2.139861  Molar Refractivity 46.7336 cm3
Polarizability 18.135319 Å3 Polar Surface Area 12.03 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
16 - 18°C expand Show data source
Hydrophobicity(logP)
2.007 expand Show data source
Storage Warning
IRRITANT expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
UN3259 expand Show data source
MSDS Link
Download expand Show data source
Hazard Class
8 expand Show data source
Packing Group
III expand Show data source
Risk Statements
34 expand Show data source
Safety Statements
20-26-36/37/39-45-60 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS Hazard statements
H314-H318 expand Show data source
GHS Precautionary statements
P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501 expand Show data source
Purity
95% expand Show data source
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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