2-Methylpiperazine - ≥99.5% , CAS No.109-07-9

CAS: 109-07-9 Cat. No.: M621090 Formula: C₅H₁₂N₂ Molecular Weight: 100.16 Beilstein Registry Number: 383566 EC Number: 203-644-2

GRADE & PURITY ≥99.5%

Synonyms

2-Methylpiperazine, purum, >=98.0% (GC) | 5-23-03-00267 (Beilstein Handbook Reference) | BRN 0383566 | 2-Methylpiperazine, 95% | 2-methyl piperazine | 2methylpiperazine | 2-Methylpiperazine | 2-METHYL-PIPERAZINE | D0LWN1061P | 2-methylpiperazin | AB04288

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

2-Methylpiperazine, purum, >=98.0% (GC) | 5-23-03-00267 (Beilstein Handbook Reference) | BRN 0383566 | 2-Methylpiperazine, 95% | 2-methyl piperazine | 2methylpiperazine | 2-Methylpiperazine | 2-METHYL-PIPERAZINE | D0LWN1061P | 2-methylpiperazin | AB04288

Specifications & Purity

≥99.5%

Storage

Argon charged,Room temperature

Shipped In

Normal

Purity

≥99.5%

Names and Identifiers

Pubchem Sid

528757361

Canonical Smiles

CC1CNCCN1

IUPAC Name

2-methylpiperazine

InChIKey

JOMNTHCQHJPVAZ-UHFFFAOYSA-N

INCHI

1S/C5H12N2/c1-5-4-6-2-3-7-5/h5-7H,2-4H2,1H3

Isomeric SMILES

CC1CNCCN1

WGK Germany

2

RTECS

TM1225020

UN Number

1325

Molecular Weight

100.16

Beilstein

383566

Reaxy-Rn

383566

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=383566&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Piperazines
• Alternative Parents: Dialkylamines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Piperazine - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as piperazines. These are compounds containing a piperazine ring, which is a saturated aliphatic six-member heterocyclic with two nitrogen atoms at positions 1 and 4, as well as four carbon atoms.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: Soluble in water
• Sensitivity: Moisture sensitive
• Flash Point(°F): 149 °F
• Flash Point(°C): 65 °C
• Boil Point(°C): 155°C/763mmHg
• Melt Point(°C): 61-63°C
• Molecular Weight: 100.160 g/mol
• XLogP3: -0.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 100.1 Da
• Monoisotopic Mass: 100.1 Da
• Topological Polar Surface Area: 24.100 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 54.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1