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109-01-3 molecular structure
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1-methylpiperazine

ChemBase ID: 78382
Molecular Formular: C5H12N2
Molecular Mass: 100.16218
Monoisotopic Mass: 100.10004839
SMILES and InChIs

SMILES:
N1CCN(CC1)C
Canonical SMILES:
CN1CCNCC1
InChI:
InChI=1S/C5H12N2/c1-7-4-2-6-3-5-7/h6H,2-5H2,1H3
InChIKey:
PVOAHINGSUIXLS-UHFFFAOYSA-N

Cite this record

CBID:78382 http://www.chembase.cn/molecule-78382.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-methylpiperazine
IUPAC Traditional name
piperazine, 1-methyl-
Synonyms
1-Methylpiperazine
1-Methyl-piperazine
1-Methylpiperazine
1-Methylpiperazine
N-METHYLPIPERAZINE
1-甲基哌嗪
N-甲基哌嗪
CAS Number
109-01-3
EC Number
203-639-5
MDL Number
MFCD00005966
Beilstein Number
102724
PubChem SID
162043151
24848728
24885849
24847936
PubChem CID
53167

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -3.7431488  LogD (pH = 7.4) -2.3915062 
Log P -0.3457589  Molar Refractivity 30.7435 cm3
Polarizability 12.272833 Å3 Polar Surface Area 15.27 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
-5°C expand Show data source
-6°C expand Show data source
Boiling Point
137-139°C expand Show data source
137-139°C expand Show data source
138 °C(lit.) expand Show data source
138°C expand Show data source
Flash Point
102.2 °F expand Show data source
34°C(93°F) expand Show data source
39 °C expand Show data source
39°C expand Show data source
42.2°C expand Show data source
Density
0.903 expand Show data source
0.903 g/ml expand Show data source
0.903 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
1.4655 expand Show data source
n20/D 1.466 expand Show data source
n20/D 1.466(lit.) expand Show data source
Vapor Density
3.5 (vs air) expand Show data source
Storage Condition
Room Temperature (15-30°C), Desiccate expand Show data source
Storage Warning
Air Sensitive expand Show data source
Corrosive/Flammable/Toxic/Moisture Sensitive/Hygroscopic/Air Sensitive/Store under Argon expand Show data source
RTECS
TM1225000 expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
Flammable Flammable (F) expand Show data source
X expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
2733 expand Show data source
2734 expand Show data source
2920 expand Show data source
UN2734 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
German water hazard class
2 expand Show data source
Hazard Class
3 expand Show data source
8 expand Show data source
Packing Group
2 expand Show data source
II expand Show data source
Australian Hazchem
2W expand Show data source
Risk Statements
10-20/21-34 expand Show data source
R:10-27-34 expand Show data source
Safety Statements
26-36/37/39-45 expand Show data source
9-26-36/37/39-45-60 expand Show data source
S:16-27/28-29-36/37/39-45 expand Show data source
EU Classification
CF1 expand Show data source
EU Hazard Identification Number
8A expand Show data source
Emergency Response Guidebook(ERG) Number
132 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS05 expand Show data source
GHS06 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H226-H312-H314-H331 expand Show data source
H311-H332-H314-H318-H226 expand Show data source
GHS Precautionary statements
P261-P280-P305 + P351 + P338-P310 expand Show data source
P280-P303+P361+P353-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 2734 8/PG 2 expand Show data source
Purity
≥99.0% (GC) expand Show data source
≥99.5% (GC) expand Show data source
98% expand Show data source
98+% expand Show data source
99% expand Show data source
Grade
analytical standard expand Show data source
purum expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Shelf Life
(limited shelf life, expiry date on the label) expand Show data source
Empirical Formula (Hill Notation)
C5H12N2 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 02190518 external link
Purity: 98%
MP Biomedicals - 05216141 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 130001 external link
Packaging
5, 100, 500 g in glass bottle

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • For preparation of a reagent for the high-yield reduction of esters to aldehydes, see Sodium bis(2-methoxyethoxy)aluminum hydride, A13292. Similarly, addition of the hydrochloride to Lithium aluminum hydride, A18116, gives a complex which can reduce carboxylic acids to aldehydes: J. Org. Chem., 49, 2279 (1984).
  • • The N-lithio-derivative effects the O-alkyl cleavage of aromatic ortho-alkoxyaldehydes or ketones, without the need for carbonyl protection: Synth. Commun., 18, 191 (1988).
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PATENTS

PATENTS

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INTERNET

INTERNET

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