(2-aminoethyl)(3-aminopropyl)amine

• ChemBase ID: 85840
• Molecular Formular: C5H15N3
• Molecular Mass: 117.1927
• Monoisotopic Mass: 117.1265975
• SMILES: N(CCCN)CCN
• Canonical SMILES: NCCNCCCN
• InChI: InChI=1S/C5H15N3/c6-2-1-4-8-5-3-7/h8H,1-7H2
• InChIKey: DTSDBGVDESRKKD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-aminoethyl)(3-aminopropyl)amine
• IUPAC Traditional name: (2-aminoethyl)(3-aminopropyl)amine
• Synonyms: N-(2-Aminoethyl)-1,3-propanediamine; 3-(2-Aminoethylamino)propylamine; N-(2-AMINOETHYL)TRIMETHYLENE DIAMINE; N~1~-(2-aminoethyl)propane-1,3-diamine; N-(2-Aminoethyl)-1,3-propanediamine; 3-(2-氨基乙基氨基)丙基胺; N-(2-乙氨基)-1,3-丙二胺

Database IDs

• CAS Number: 13531-52-7
• EC Number: 236-882-0
• MDL Number: MFCD00008211
• PubChem SID: 162072956; 24847766
• PubChem CID: 26091

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -8.483777
• LogD (pH = 7.4): -6.30768
• Log P: -1.7268864
• Molar Refractivity: 35.4584 cm^3
• Polarizability: 14.532438 Å^3
• Polar Surface Area: 64.07 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 204.8 °F; 96 °C; 96°C(205°F)
• Density: 0.928 g/mL at 25 °C(lit.); 0.930
• Refractive Index: 1.4820; n20/D 1.4815(lit.)

Safety Information

• Storage Warning: Air Sensitive
• European Hazard Symbols: Corrosive (C)
• UN Number: 2735; UN2735
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2; II
• Risk Statements: 34
• Safety Statements: 26-27-28-36/37/39-45; 26-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314; H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A; 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 2735 8/PG 2

Product Information

• Purity: 97%
• Linear Formula: H2N(CH2)3NHCH2CH2NH2

DETAILS

MP Biomedicals - 05223298

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 127159

Packaging
25, 100 g in glass bottle