bis(3-aminopropyl)(methyl)amine

• ChemBase ID: 108884
• Molecular Formular: C7H19N3
• Molecular Mass: 145.24586
• Monoisotopic Mass: 145.15789762
• SMILES: CN(CCCN)CCCN
• Canonical SMILES: NCCCN(CCCN)C
• InChI: InChI=1S/C7H19N3/c1-10(6-2-4-8)7-3-5-9/h2-9H2,1H3
• InChIKey: KMBPCQSCMCEPMU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(3-aminopropyl)(methyl)amine
• IUPAC Traditional name: bis(3-aminopropyl)(methyl)amine
• Synonyms: 3,3'-DIAMINO-N-METHYLDIPROPYLAMINE; N1-(3-Aminopropyl)-N1-methylpropane-1,3-diamine; 3,3′-Diamino-N-methyldipropylamine; N,N-bis-(3-AMINOPROPYL)METHYLAMINE; N,N-双(3-氨丙基)甲胺

Database IDs

• CAS Number: 105-83-9
• EC Number: 203-336-8
• MDL Number: MFCD00008217
• PubChem SID: 24851162; 162096084
• PubChem CID: 7777

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -9.596202
• LogD (pH = 7.4): -6.9787164
• Log P: -1.2838787
• Molar Refractivity: 45.6185 cm^3
• Polarizability: 18.22489 Å^3
• Polar Surface Area: 55.28 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 110-112 °C/6 mmHg(lit.)
• Flash Point: 103 °C; 217.4 °F
• Density: 0.901 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.4725(lit.)
• Vapor Pressure: 6 mmHg ( 110 °C)

Safety Information

• RTECS: JL9625000
• European Hazard Symbols: Toxic (T)
• UN Number: 2810
• German water hazard class: 1
• Hazard Class: 6.1
• Packing Group: 2
• Risk Statements: 22-23/24-34; R:22-23/24-34
• Safety Statements: 26-36/37/39-45; S:26-45-36/37/39
• GHS Pictograms: GHS05; GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H311-H314-H331
• GHS Precautionary statements: P261-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
• RID/ADR: UN 2810 6.1/PG 2

Product Information

• Purity: 95+%; 96%; 97%
• Linear Formula: CH3N(CH2CH2CH2NH2)2

DETAILS

MP Biomedicals - 05209095

MP Biomedicals Rare Chemical collection

MP Biomedicals - 05215282

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 188441

Packaging
100, 500 g in glass bottle