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7144-05-0 molecular structure
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piperidin-4-ylmethanamine

ChemBase ID: 88944
Molecular Formular: C6H14N2
Molecular Mass: 114.18876
Monoisotopic Mass: 114.11569846
SMILES and InChIs

SMILES:
N1CCC(CC1)CN
Canonical SMILES:
NCC1CCNCC1
InChI:
InChI=1S/C6H14N2/c7-5-6-1-3-8-4-2-6/h6,8H,1-5,7H2
InChIKey:
LTEKQAPRXFBRNN-UHFFFAOYSA-N

Cite this record

CBID:88944 http://www.chembase.cn/molecule-88944.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
piperidin-4-ylmethanamine
IUPAC Traditional name
4-piperidinemethanamine
Synonyms
(Piperidin-4-yl)methylamine
4-(Aminomethyl)piperidine
4-Piperidinemethanamine
4-AMP
4-(Aminomethyl)piperidine
4-Piperidinemethylamine
4-氨甲基哌啶
CAS Number
7144-05-0
EC Number
230-446-3
MDL Number
MFCD00006007
Beilstein Number
471185
PubChem SID
162075830
24891098
PubChem CID
23527

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -6.7760396  LogD (pH = 7.4) -5.8900156 
Log P -0.5210999  Molar Refractivity 34.8932 cm3
Polarizability 14.118806 Å3 Polar Surface Area 38.05 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
23-25°C expand Show data source
25 °C(lit.) expand Show data source
25°C expand Show data source
Boiling Point
199-200°C expand Show data source
200 °C(lit.) expand Show data source
200°C expand Show data source
Flash Point
172.4 °F expand Show data source
78 °C expand Show data source
78°C expand Show data source
79°C(174°F) expand Show data source
Density
0.952 expand Show data source
Refractive Index
1.4900 expand Show data source
n20/D 1.49(lit.) expand Show data source
Storage Warning
Air Sensitive expand Show data source
Corrosive expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
3259 expand Show data source
UN3259 expand Show data source
MSDS Link
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
Safety Statements
20-26-36/37/39-45 expand Show data source
26-36/37/39-45 expand Show data source
TSCA Listed
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 expand Show data source
GHS Precautionary statements
P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A expand Show data source
P280-P305 + P351 + P338-P310 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges expand Show data source
RID/ADR
UN 3259 8/PG 2 expand Show data source
Purity
96% expand Show data source
98+% expand Show data source
Certificate of Analysis
Download expand Show data source
Empirical Formula (Hill Notation)
C6H14N2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich MP Biomedicals MP Biomedicals
Sigma Aldrich - A65158 external link
Packaging
5, 25 g in glass bottle
Application
Reactant:
• Evaulated as a small molecule inhibitor of CD4-gp120 binding1Reagent
• Involved in solvothermal preparation of germanium oxide hydroxide 3D net zeotype2
• Involved in zeolite synthesis3,4Coupling agent for adhesive systems5
MP Biomedicals - 05204998 external link
MP Biomedicals Rare Chemical collection

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Reagent for rapid cleavage of the Fmoc group in peptide synthesis, particularly recommended in conjunction with Fmoc-protected acid chlorides as the active species: J. Org. Chem., 55, 721 (1990). See also Tris(2-aminoethyl)amine, B21789. See Appendix 6.
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PATENTS

PATENTS

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INTERNET

INTERNET

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