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23995-88-2 molecular structure
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1-(1-methylpiperidin-4-yl)piperazine

ChemBase ID: 34352
Molecular Formular: C10H21N3
Molecular Mass: 183.29384
Monoisotopic Mass: 183.17354769
SMILES and InChIs

SMILES:
C1C(CCN(C1)C)N1CCNCC1
Canonical SMILES:
CN1CCC(CC1)N1CCNCC1
InChI:
InChI=1S/C10H21N3/c1-12-6-2-10(3-7-12)13-8-4-11-5-9-13/h10-11H,2-9H2,1H3
InChIKey:
OHUMKYGINIODOY-UHFFFAOYSA-N

Cite this record

CBID:34352 http://www.chembase.cn/molecule-34352.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(1-methylpiperidin-4-yl)piperazine
IUPAC Traditional name
1-(1-methylpiperidin-4-yl)piperazine
Synonyms
1-(1-Methylpiperidin-4-yl)piperazine
1-(1-Methylpiperidin-4-yl)piperazine 98%
1-Methyl-4-piperazinopiperidine
1-(1-Methyl-4-piperidinyl)piperazine
1-Methyl-4-piperazinylpiperidine
1-甲基-4-哌嗪基哌啶
1-(1-甲基-4-哌啶基)哌嗪
1-(1-甲基-4-哌啶)哌嗪
CAS Number
23995-88-2
MDL Number
MFCD01075186
PubChem SID
24886157
160997659
PubChem CID
566324

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -6.5718303  LogD (pH = 7.4) -3.80939 
Log P -0.31895277  Molar Refractivity 56.1946 cm3
Polarizability 22.286194 Å3 Polar Surface Area 18.51 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
29-32°C expand Show data source
Refractive Index
1.508 expand Show data source
n20/D 1.508 expand Show data source
Storage Warning
Air Sensitive expand Show data source
IRRITANT expand Show data source
Irritant expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
2735 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
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 Signal Word
Danger expand Show data source
GHS Hazard statements
H314 expand Show data source
H314-H318 expand Show data source
GHS Precautionary statements
P280-P305 + P351 + P338-P310 expand Show data source
P280-P305+P351+P338-P309-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
Purity
≥98.0% (GC) expand Show data source
98% expand Show data source
Empirical Formula (Hill Notation)
C10H21N3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 71277 external link
Packaging
1 g in poly tube
5 g in poly bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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