(3-aminopropyl)(methyl)amine

• ChemBase ID: 24416
• Molecular Formular: C4H12N2
• Molecular Mass: 88.15148
• Monoisotopic Mass: 88.10004839
• SMILES: N(CCCN)C
• Canonical SMILES: CNCCCN
• InChI: InChI=1S/C4H12N2/c1-6-4-2-3-5/h6H,2-5H2,1H3
• InChIKey: QHJABUZHRJTCAR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-aminopropyl)(methyl)amine
• IUPAC Traditional name: 1,3-propanediamine, N-methyl-
• Synonyms: N1-methylpropane-1,3-diamine; 3-(Methylamino)propylamine; 3-(Methylamino)propylamine; N-Methyl-1,3-propanediamine; N-Methyl-1,3-diaminopropane; N1-Methyl-1,3-propanediamine; 3-Methylamino-1-propylamine; N-Methyl-1,3-diaminopropane; N-Methyl-1,3-propanediamine; 3-甲氨基丙胺; 3-甲氨基丙胺; N-甲基-1,3-丙二胺; N-甲基-1,3-二氨基丙烷; N-甲基-1,3-丙二胺

Database IDs

• CAS Number: 6291-84-5
• EC Number: 228-544-6
• MDL Number: MFCD00008209
• Beilstein Number: 878143
• PubChem SID: 24884246; 24847757; 160987723
• PubChem CID: 80511

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -6.7475743
• LogD (pH = 7.4): -4.821811
• Log P: -0.92990255
• Molar Refractivity: 27.5086 cm^3
• Polarizability: 11.1656475 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -72°C
• Boiling Point: 139-141 °C(lit.); 139-141°C
• Flash Point: 104 °F; 35°C(96°F); 40 °C
• Density: 0.844; 0.844 g/mL at 25 °C(lit.)
• Refractive Index: 1.4475; n20/D 1.447; n20/D 1.447(lit.)

Safety Information

• Storage Warning: IRRITANT
• RTECS: TX8242500
• European Hazard Symbols: Corrosive (C); Flammable (F); X
• UN Number: 2734; UN2734
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2; II
• Risk Statements: 10-20/21/22-34; 10-22-34
• Safety Statements: 16-26-36/37-45; 20-23-26-36/37/39-45
• TSCA Listed: false; 是
• GHS Pictograms: GHS02; GHS05; GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H302-H312-H314-H330; H301-H314-H318-H226
• GHS Precautionary statements: P210-P301+P310-P303+P361+P353-P305+P351+P338-P405-P501A; P260-P280-P284-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 2734 8/PG 2

Pharmacology Properties

• Gene Information: rat ... Grin2a(24409)

Product Information

• Purity: ≥97.0% (GC); 98%; 99%
• Grade: technical
• Linear Formula: CH3NH(CH2)3NH2

DETAILS

Sigma Aldrich - 127027

Packaging
25, 100, 500 g in glass bottle