4,17-bis(3-aminopropyl)-8,13-bis({3-[bis(3-aminopropyl)amino]propyl})-4,8,13,17-tetraazaicosane-1,20-diamine

• ChemBase ID: 137902
• Molecular Formular: C40H96N14
• Molecular Mass: 773.28404
• Monoisotopic Mass: 772.79423914
• SMILES: C(CCN(CCCN(CCCN)CCCN)CCCN(CCCN)CCCN)CN(CCCN(CCCN)CCCN)CCCN(CCCN)CCCN
• Canonical SMILES: NCCCN(CCCN)CCCN(CCCN(CCCN)CCCN)CCCCN(CCCN(CCCN)CCCN)CCCN(CCCN)CCCN
• InChI: InChI=1S/C40H96N14/c41-15-3-25-51(26-4-16-42)37-11-33-49(34-12-38-52(27-5-17-43)28-6-18-44)23-1-2-24-50(35-13-39-53(29-7-19-45)30-8-20-46)36-14-40-54(31-9-21-47)32-10-22-48/h1-48H2
• InChIKey: WAEBEGSYPODNCE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,17-bis(3-aminopropyl)-8,13-bis({3-[bis(3-aminopropyl)amino]propyl})-4,8,13,17-tetraazaicosane-1,20-diamine
• IUPAC Traditional name: 4,17-bis(3-aminopropyl)-8,13-bis({3-[bis(3-aminopropyl)amino]propyl})-4,8,13,17-tetraazaicosane-1,20-diamine
• Synonyms: 4,17-Bis(3-aminopropyl)-8,13-bis[3-[bis(3-aminopropyl)amino]propyl]-4,8,13,17-tetraazaeicosane-1,20-diamine; 4,17-Bis-(3-aminopropyl)-8,13-bis-[3-[bis-(3-aminopropyl)-amino]-propyl]-4,8,13,17-tetraazaeicosan-1,20-diamin; DAB-AM-8, Polypropylenimine octaamine Dendrimer, Generation 2.0; 4,17-二(3-氨丙基)-8,13-二[3-[二(3-氨丙基)氨基]丙基]-4,8,13,17-四氮杂二十烷-1,20-二胺; 4,17-二-(3-氨丙基)-8,13-二-[3-[二-(3-氨丙基)-氨基]-丙基]-4,8,13,17-四氮杂二十烷-1,20-二胺; DAB-AM-8，聚丙烯胺辛胺枝状物，2.0 代

Database IDs

• CAS Number: 154487-83-9
• PubChem SID: 162232163
• PubChem CID: 3425467

CALCULATED PROPERTIES

• H Acceptors: 14
• H Donor: 8
• LogD (pH = 5.5): -25.983072
• LogD (pH = 7.4): -20.43581
• Log P: -4.795639
• Molar Refractivity: 241.5768 cm^3
• Polarizability: 95.87812 Å^3
• Polar Surface Area: 227.6 Å^2
• Rotatable Bonds: 45
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: methanol and water: soluble
• Flash Point: >113 °C; >235.4 °F
• Density: 0.99 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.512(lit.)
• Viscosity: 0.28 poise(50 °C)(lit.)
• Transition Temperature: Tg -97 °C
• pH: 12 (25 wt. % in H2O)

Safety Information

• European Hazard Symbols: Harmful (Xn)
• UN Number: 2735
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 3
• Risk Statements: 22-37/38-41
• Safety Statements: 26-39
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H315-H318-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2735 8/PG 3

Product Information

• Volume: 922 Å3
• Linear Formula: [-CH2CH2N[(CH2)3N[(CH2)3NH2]2]2]2

DETAILS

Sigma Aldrich - 460729

General description
Contains 8 surface primary amino groups.
Legal Information
DSM product
Application
Coatings, adhesives, plastic additives, cosmetics, catalysts, conductive films, surfactants, controlled release and medical diagnostics.