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261951-68-2 molecular structure
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(4-fluoro-3-methylphenyl)methanamine

ChemBase ID: 7373
Molecular Formular: C8H10FN
Molecular Mass: 139.1701032
Monoisotopic Mass: 139.07972755
SMILES and InChIs

SMILES:
c1c(c(cc(c1)CN)C)F
Canonical SMILES:
NCc1ccc(c(c1)C)F
InChI:
InChI=1S/C8H10FN/c1-6-4-7(5-10)2-3-8(6)9/h2-4H,5,10H2,1H3
InChIKey:
PQXWYQZQCWWMDQ-UHFFFAOYSA-N

Cite this record

CBID:7373 http://www.chembase.cn/molecule-7373.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(4-fluoro-3-methylphenyl)methanamine
IUPAC Traditional name
(4-fluoro-3-methylphenyl)methanamine
Synonyms
(4-Fluoro-3-methylphenyl)methylamine
4-Fluoro-3-methylbenzylamine 97%
4-Fluoro-3-methylbenzylamine
4-Fluoro-3-methylbenzylamine
(4-Fluoro-3-Methylphenyl)MethanaMine
1-(4-fluoro-3-methylphenyl)methanamine
4-氟-3-甲基苄胺
CAS Number
261951-68-2
EC Number
None
MDL Number
MFCD01631490
PubChem SID
160970680
PubChem CID
2774599

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.2323412  LogD (pH = 7.4) -0.28980845 
Log P 1.7551376  Molar Refractivity 39.789 cm3
Polarizability 15.105658 Å3 Polar Surface Area 26.02 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
145°C expand Show data source
Flash Point
68°C expand Show data source
Density
1.059 expand Show data source
Hydrophobicity(logP)
1.736 expand Show data source
Storage Warning
Air Sensitive expand Show data source
CORROSIVE expand Show data source
Corrosive expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
UN2735 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 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-P501A 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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