1-methylpiperazine

• ChemBase ID: 78382
• Molecular Formular: C5H12N2
• Molecular Mass: 100.16218
• Monoisotopic Mass: 100.10004839
• 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

NAMES AND DATABASE IDS

Names

• 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

Database IDs

• CAS Number: 109-01-3
• EC Number: 203-639-5
• MDL Number: MFCD00005966
• Beilstein Number: 102724
• PubChem SID: 162043151; 24885849; 24847936; 24848728
• PubChem CID: 53167

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.7431488
• LogD (pH = 7.4): -2.3915062
• Log P: -0.3457589
• Molar Refractivity: 30.7435 cm^3
• Polarizability: 12.272833 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -5°C; -6°C
• Boiling Point: 137-139°C; 137-139°C; 138 °C(lit.); 138°C
• Flash Point: 102.2 °F; 34°C(93°F); 39 °C; 39°C; 42.2°C
• Density: 0.903; 0.903 g/ml; 0.903 g/mL at 25 °C(lit.)
• Refractive Index: 1.4655; n20/D 1.466; n20/D 1.466(lit.)
• Vapor Density: 3.5 (vs air)

Safety Information

• Storage Condition: Room Temperature (15-30°C), Desiccate
• Storage Warning: Air Sensitive; Corrosive/Flammable/Toxic/Moisture Sensitive/Hygroscopic/Air Sensitive/Store under Argon
• RTECS: TM1225000
• European Hazard Symbols: Corrosive (C); Flammable (F); X; Harmful (Xn)
• UN Number: 2733; 2734; 2920; UN2734
• German water hazard class: 2
• Hazard Class: 3; 8
• Packing Group: 2; II
• Australian Hazchem: 2W
• Risk Statements: 10-20/21-34; R:10-27-34
• Safety Statements: 26-36/37/39-45; 9-26-36/37/39-45-60; S:16-27/28-29-36/37/39-45
• EU Classification: CF1
• EU Hazard Identification Number: 8A
• Emergency Response Guidebook(ERG) Number: 132
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS05; GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H312-H314-H331; H311-H332-H314-H318-H226
• GHS Precautionary statements: P261-P280-P305 + P351 + P338-P310; P280-P303+P361+P353-P305+P351+P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2734 8/PG 2

Product Information

• Purity: ≥99.0% (GC); ≥99.5% (GC); 98%; 98+%; 99%
• Grade: analytical standard; purum
• Shelf Life: (limited shelf life, expiry date on the label)
• Empirical Formula (Hill Notation): C5H12N2

DETAILS

MP Biomedicals - 02190518

Purity: 98%

MP Biomedicals - 05216141

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 130001

Packaging
5, 100, 500 g in glass bottle

REFERENCES

• 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).