1-benzyl-3-methylpiperazine hydrochloride

• ChemBase ID: 296601
• Molecular Formular: C12H19ClN2
• Molecular Mass: 226.74566
• Monoisotopic Mass: 226.1236763
• SMILES: CC1CN(CCN1)Cc1ccccc1.Cl
• Canonical SMILES: CC1NCCN(C1)Cc1ccccc1.Cl
• InChI: InChI=1S/C12H18N2.ClH/c1-11-9-14(8-7-13-11)10-12-5-3-2-4-6-12;/h2-6,11,13H,7-10H2,1H3;1H
• InChIKey: OTGMFHMWEOEDNN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzyl-3-methylpiperazine hydrochloride
• IUPAC Traditional name: 1-benzyl-3-methylpiperazine hydrochloride
• Synonyms: 1-Benzyl-3-methylpiperazine hydrochloride; 1-苄基-3-甲基哌嗪盐酸盐

Database IDs

• MDL Number: MFCD09842143
• PubChem SID: 180682132
• PubChem CID: 53442931

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.6043661
• LogD (pH = 7.4): -0.28553608
• Log P: 1.7952893
• Molar Refractivity: 59.7749 cm^3
• Polarizability: 23.75333 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 98+%