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13035-19-3 molecular structure
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piperidin-4-amine

ChemBase ID: 89352
Molecular Formular: C5H12N2
Molecular Mass: 100.16218
Monoisotopic Mass: 100.10004839
SMILES and InChIs

SMILES:
N1CCC(CC1)N
Canonical SMILES:
NC1CCNCC1
InChI:
InChI=1S/C5H12N2/c6-5-1-3-7-4-2-5/h5,7H,1-4,6H2
InChIKey:
BCIIMDOZSUCSEN-UHFFFAOYSA-N

Cite this record

CBID:89352 http://www.chembase.cn/molecule-89352.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
piperidin-4-amine
IUPAC Traditional name
piperidin-4-amine
Synonyms
4-Aminopiperidine 97%
4-AMINOPIPERIDINE
Piperidin-4-amine
4-Piperidinamine
Piperidin-4-ylamine
4-Aminopiperidine
4-氨基哌啶
CAS Number
13035-19-3
EC Number
000-000-0
MDL Number
MFCD02179399
Beilstein Number
1105
PubChem SID
24879951
162076232
PubChem CID
424361

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -6.9668813  LogD (pH = 7.4) -5.1495876 
Log P -0.98170066  Molar Refractivity 30.0752 cm3
Polarizability 12.272833 Å3 Polar Surface Area 38.05 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
Boiling Point
65°C/18mm expand Show data source
Flash Point
113 °F expand Show data source
45 °C expand Show data source
46°C(114°F) expand Show data source
Density
0.945 g/mL at 25 °C(lit.) expand Show data source
0.954 expand Show data source
Refractive Index
1.4910 expand Show data source
n20/D 1.4910(lit.) expand Show data source
Storage Warning
Air Sensitive & Hygroscopic expand Show data source
Irritant expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
2920 expand Show data source
UN2733 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
3 expand Show data source
8 expand Show data source
Packing Group
2 expand Show data source
III expand Show data source
Risk Statements
10-34 expand Show data source
Safety Statements
16-23-26-36/37/39-45 expand Show data source
20-26-36/37/39-45 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS05 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H226-H314 expand Show data source
H314-H318-H226 expand Show data source
GHS Precautionary statements
P210-P241-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 2920 8/PG 2 expand Show data source
Gene Information
rat ... Grin2a(24409) expand Show data source
Purity
98% expand Show data source
Linear Formula
C5H10NNH2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 561479 external link
Packaging
5, 25 g in glass bottle
Application
Reactant for synthesis of:
• Cdk5/p25 kinase inhibitors1
• Antimalarials2
• Selective cyclin-dependent kinase 4/6 inhibitors3
• IKKβ inhibitors4
• Orally bioavailable P2Y12 antagonists for inhibition of platelet aggregation5
• Human and murine soluble epoxide hydrolase inhibitors6

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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