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140-75-0 molecular structure
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(4-fluorophenyl)methanamine

ChemBase ID: 2940
Molecular Formular: C7H8FN
Molecular Mass: 125.1435232
Monoisotopic Mass: 125.06407748
SMILES and InChIs

SMILES:
NCc1ccc(F)cc1
Canonical SMILES:
NCc1ccc(cc1)F
InChI:
InChI=1S/C7H8FN/c8-7-3-1-6(5-9)2-4-7/h1-4H,5,9H2
InChIKey:
IIFVWLUQBAIPMJ-UHFFFAOYSA-N

Cite this record

CBID:2940 http://www.chembase.cn/molecule-2940.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(4-fluorophenyl)methanamine
IUPAC Traditional name
4-fluorobenzylamine
@4-fluorobenzylamine
Synonyms
4-Fluorobenzylamine
4-Fluorobenzenemethanamine
(4-Fluorophenyl)methanamine
1-(4-Fluorophenyl)methanamine
NSC 158269
[(4-Fluorophenyl)methyl]amine
p-Fluorobenzylamine
p-Fluorobenzyl amine
4-Fluorobenzylamine
p-FLUOROBENZYLAMINE
4-Fluorobenzylamine 98%
对氟苄胺
4-氟苄胺
CAS Number
140-75-0
EC Number
205-430-4
MDL Number
MFCD00008120
Beilstein Number
636501
PubChem SID
160966387
46509155
24849984
PubChem CID
67326
448749

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem ALOGPS 2.1
H Acceptors H Donor
LogD (pH = 5.5) -1.7401663  LogD (pH = 7.4) -0.75572205 
Log P 1.2417161  Molar Refractivity 34.7478 cm3
Polarizability 13.340725 Å3 Polar Surface Area 26.02 Å2
Rotatable Bonds Lipinski's Rule of Five true 
Log P -1.57  LOG S -2.94 
Solubility (Water) 1.84e-01 g/l 

PROPERTIES

PROPERTIES

Physical Property Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
Boiling Point
182-183°C expand Show data source
182-183°C expand Show data source
183 °C(lit.) expand Show data source
183°C expand Show data source
Flash Point
150.8 °F expand Show data source
66 °C expand Show data source
66°C expand Show data source
66°C(150°F) expand Show data source
Density
1.09 g/ml expand Show data source
1.095 expand Show data source
1.095 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
1.512 expand Show data source
1.5130 expand Show data source
n20/D 1.512(lit.) expand Show data source
n20/D 1.513 expand Show data source
Storage Condition
2-8°C expand Show data source
Storage Warning
Air Sensitive expand Show data source
AIR SENSITIVE, CORROSIVE expand Show data source
Corrosive/Air Sensitive/Store under Argon expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
2735 expand Show data source
UN2735 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
2 expand Show data source
III expand Show data source
Risk Statements
34 expand Show data source
R:34 expand Show data source
Safety Statements
26-27-36/37/39-45 expand Show data source
26-36/37/39-45 expand Show data source
S:26-27/28-36/37/39-46-64 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H314 expand Show data source
H314-H318-H227 expand Show data source
GHS Precautionary statements
P210-P260-P303+P361+P353-P305+P351+P338-P405-P501A expand Show data source
P280-P305 + P351 + P338-P310 expand Show data source
Personal Protective Equipment
Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 2735 8/PG 2 expand Show data source
Gene Information
human ... AOC3(8639)mouse ... Aoc3(11754) expand Show data source
Purity
≥97.0% (GC) expand Show data source
97% expand Show data source
98% expand Show data source
98+% expand Show data source
Grade
purum expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Download expand Show data source
Linear Formula
FC6H4CH2NH2 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals DrugBank DrugBank Sigma Aldrich Sigma Aldrich TRC TRC
MP Biomedicals - 02158096 external link
1 ml = approx. 1.09 g
MP Biomedicals - 05215209 external link
MP Biomedicals Rare Chemical collection
DrugBank - DB03243 external link
Drug information: experimental
Sigma Aldrich - 162493 external link
Packaging
5, 25 g in glass bottle
Toronto Research Chemicals - F588510 external link
A benzylamine derivative as a potassium channel blocking agent.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Banchelli, G., et al.: Pharmacol. Res., 41, 151 (2000)
  • • Ghelardini, C., et al.: Eur. J. Pharmacol., 329, 1 (2000)
  • • Schechter, L., et al.: J. Pharmacol. Exp. Ther., 282, 262 (2000)
  • • Knoll, J., et al.: Pharmacol. Toxicol., 82, 57 (2000)
  • • Meszaros, Z., et al
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PATENTS

PATENTS

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INTERNET

INTERNET

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