methyl(3-{methyl[3-(methylamino)propyl]amino}propyl)amine

• ChemBase ID: 108247
• Molecular Formular: C9H23N3
• Molecular Mass: 173.29902
• Monoisotopic Mass: 173.18919775
• SMILES: CNCCCN(C)CCCNC
• Canonical SMILES: CNCCCN(CCCNC)C
• InChI: InChI=1S/C9H23N3/c1-10-6-4-8-12(3)9-5-7-11-2/h10-11H,4-9H2,1-3H3
• InChIKey: PQYGBJHVVYREGU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl(3-{methyl[3-(methylamino)propyl]amino}propyl)amine
• IUPAC Traditional name: methyl(3-{methyl[3-(methylamino)propyl]amino}propyl)amine
• Synonyms: N-Methyl-3,3′-bis(methylamino)dipropylamine; N-Methyl-N,N-bis[3-(methylamino)propyl]amine; Methylbis(3-methylaminopropyl)amine; N,N-Bis[3-(methylamino)propyl]methylamine; 3,3'-bis(METHYLAMINO)-N-METHYLDIPROPYLAMINE; N-甲基-3,3′-双(甲氨基)二丙胺; N-甲基-N,N-双[3-(甲氨基)丙基]胺; 甲基双(3-甲基氨丙基)胺; N,N-双[3-(甲氨基)丙基]甲胺

Database IDs

• CAS Number: 123-70-6
• EC Number: 204-645-0
• MDL Number: MFCD00014857
• Beilstein Number: 6711228
• PubChem SID: 162094356
• PubChem CID: 67161

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -8.220687
• LogD (pH = 7.4): -6.1957884
• Log P: -0.4187179
• Molar Refractivity: 55.1677 cm^3
• Polarizability: 21.917875 Å^3
• Polar Surface Area: 27.3 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Corrosive (C)
• German water hazard class: 3
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314
• GHS Precautionary statements: P280-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

Product Information

• Purity: ≥97.5% (GC); 97.5-102.5% (with HClO4, T); 98%
• Impurities: ≤1% water
• Linear Formula: CH3N(CH2CH2CH2NHCH3)2

DETAILS

Sigma Aldrich - 690228

Packaging
25, 100 mL in glass bottle