2,3-dimethylpiperazine

• ChemBase ID: 22381
• Molecular Formular: C6H14N2
• Molecular Mass: 114.18876
• Monoisotopic Mass: 114.11569846
• SMILES: N1C(C(NCC1)C)C
• Canonical SMILES: CC1NCCNC1C
• InChI: InChI=1S/C6H14N2/c1-5-6(2)8-4-3-7-5/h5-8H,3-4H2,1-2H3
• InChIKey: COWPTMLRSANSMQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dimethylpiperazine
• IUPAC Traditional name: 2,3-dimethylpiperazine
• Synonyms: 2,3-Dimethyl-piperazine; 2,3-Dimethylpiperazine; 2,3-Dimethylpiperazine, cis + trans; 2,3-DIMETHYLPIPERAZINE; 2,3-二甲基哌嗪; 2,3-二甲基哌嗪,95%,顺式+反式

Database IDs

• CAS Number: 84468-52-0
• MDL Number: MFCD07373397
• PubChem SID: 160985688
• PubChem CID: 522814

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.3564553
• LogD (pH = 7.4): -2.2017725
• Log P: 0.10434322
• Molar Refractivity: 34.2864 cm^3
• Polarizability: 14.118806 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 81-90°C; 82-88°C; 94-98 °C

Safety Information

• Storage Warning: Air Sensitive; IRRITANT
• European Hazard Symbols: Irritant (Xi); Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-36; 36/37/38
• Safety Statements: 26; 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H319; H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A; P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 95%; 98%

DETAILS

Sigma Aldrich - 696102

包装
1 g in glass bottle
250 mg in glass bottle