(3-aminopropyl)({3-[(3-aminopropyl)amino]propyl})amine

• ChemBase ID: 145400
• Molecular Formular: C9H24N4
• Molecular Mass: 188.31366
• Monoisotopic Mass: 188.20009679
• SMILES: C(CN)CNCCCNCCCN
• Canonical SMILES: NCCCNCCCNCCCN
• InChI: InChI=1S/C9H24N4/c10-4-1-6-12-8-3-9-13-7-2-5-11/h12-13H,1-11H2
• InChIKey: ZAXCZCOUDLENMH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-aminopropyl)({3-[(3-aminopropyl)amino]propyl})amine
• IUPAC Traditional name: norspermine
• Synonyms: N,N′-Bis(3-aminopropyl)-1,3-propanediamine; N,N'-Bis(3-aminopropyl)-1,3-propanediamine; N,N′-双(3-氨丙基)-1,3-丙二胺; N,N'-二(3-氨丙基)-1,3-丙二胺

Database IDs

• CAS Number: 4605-14-5
• EC Number: 225-007-8
• MDL Number: MFCD00008213
• PubChem SID: 24865272; 162239606
• PubChem CID: 78350

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 4
• LogD (pH = 5.5): -12.546969
• LogD (pH = 7.4): -8.919332
• Log P: -1.9713703
• Molar Refractivity: 57.9136 cm^3
• Polarizability: 23.437965 Å^3
• Polar Surface Area: 76.1 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 101-103°C/1mm; 98-103 °C/1 mmHg(lit.)
• Flash Point: >110°C(230°F); 113 °C; 235.4 °F
• Density: 0.92; 0.92 g/mL at 25 °C(lit.)
• Refractive Index: 1.4910; n20/D 1.491(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; III
• Risk Statements: 34
• Safety Statements: 20-26-36/37/39-45; 26-27-28-36/37/39-45
• 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: 90%; 97%
• Grade: technical grade
• Linear Formula: H2N(CH2)3NH(CH2)3NH(CH2)3NH2

DETAILS

Sigma Aldrich - 404810

Packaging
5 g in glass bottle