2-(4-methylpiperazin-1-yl)ethan-1-amine

• ChemBase ID: 11549
• Molecular Formular: C7H17N3
• Molecular Mass: 143.22998
• Monoisotopic Mass: 143.14224756
• SMILES: N1(CCN(CC1)CCN)C
• Canonical SMILES: NCCN1CCN(CC1)C
• InChI: InChI=1S/C7H17N3/c1-9-4-6-10(3-2-8)7-5-9/h2-8H2,1H3
• InChIKey: GOWUDHPKGOIDIX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-methylpiperazin-1-yl)ethan-1-amine
• IUPAC Traditional name: 2-(4-methylpiperazin-1-yl)ethanamine
• Synonyms: [2-(4-methylpiperazin-1-yl)ethyl]amine trihydrochloride; 2-(4-Methyl-piperazin-1-yl)-ethylamine; 2-(4-methylpiperazin-1-yl)ethanamine; 2-(4-Methyl-1-piperazinyl)ethylamine; 1-(2-Aminoethyl)-4-methylpiperazine; 2-(4-Methylpiperazin-1-yl)ethylamine; 1-Amino-2-(4-methylpiperazin-1-yl)ethane; 1-(2-Aminoethyl)-4-methylpiperazine; 1-(2-氨乙基)-4-甲基哌嗪

Database IDs

• CAS Number: 934-98-5
• EC Number: 213-296-3
• MDL Number: MFCD03701701
• PubChem SID: 160974856
• PubChem CID: 70284

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -6.3411307
• LogD (pH = 7.4): -3.55086
• Log P: -0.75969476
• Molar Refractivity: 43.988 cm^3
• Polarizability: 17.48637 Å^3
• Polar Surface Area: 32.5 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 112°C/30mm
• Hydrophobicity(logP): -1.221

Safety Information

• Storage Warning: Air Sensitive; AIR SENSITIVE, CORROSIVE; Irritant
• European Hazard Symbols: Corrosive (C)
• UN Number: UN2735
• Hazard Class: 8
• Packing Group: III
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• TSCA Listed: false; 否
• GHS Pictograms: GHS05
• GHS Hazard statements: H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A

Product Information

• Purity: 95%; 95+%; 97%; 97+%; 98%
• Salt Data: 3 HCl