N-(2-aminoethyl)-3-({2-[(2-aminoethyl)carbamoyl]ethyl}({2-[bis({2-[(2-aminoethyl)carbamoyl]ethyl})amino]ethyl})amino)propanamide

• ChemBase ID: 145282
• Molecular Formular: C22H48N10O4
• Molecular Mass: 516.68112
• Monoisotopic Mass: 516.38600007
• SMILES: C(CN(CCC(=O)NCCN)CCN(CCC(=O)NCCN)CCC(=O)NCCN)C(=O)NCCN
• Canonical SMILES: NCCNC(=O)CCN(CCC(=O)NCCN)CCN(CCC(=O)NCCN)CCC(=O)NCCN
• InChI: InChI=1S/C22H48N10O4/c23-5-9-27-19(33)1-13-31(14-2-20(34)28-10-6-24)17-18-32(15-3-21(35)29-11-7-25)16-4-22(36)30-12-8-26/h1-18,23-26H2,(H,27,33)(H,28,34)(H,29,35)(H,30,36)
• InChIKey: SENLDUJVTGGYIH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-aminoethyl)-3-({2-[(2-aminoethyl)carbamoyl]ethyl}({2-[bis({2-[(2-aminoethyl)carbamoyl]ethyl})amino]ethyl})amino)propanamide
• IUPAC Traditional name: N-(2-aminoethyl)-3-({2-[(2-aminoethyl)carbamoyl]ethyl}({2-[bis({2-[(2-aminoethyl)carbamoyl]ethyl})amino]ethyl})amino)propanamide
• Synonyms: PAMAM dendrimer, ethylenediamine core, generation 0.0 solution; PAMAM 树枝状聚合物，乙二胺核，0.0 代 溶液

Database IDs

• CAS Number: 155773-72-1
• MDL Number: MFCD00192446
• PubChem SID: 162239490; 24865805
• PubChem CID: 4140276

CALCULATED PROPERTIES

• H Acceptors: 10
• H Donor: 8
• LogD (pH = 5.5): -21.979322
• LogD (pH = 7.4): -15.582846
• Log P: -6.4522033
• Molar Refractivity: 139.818 cm^3
• Polarizability: 55.283756 Å^3
• Polar Surface Area: 226.96 Å^2
• Rotatable Bonds: 23
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: 20 wt.% in methanol
• Boiling Point: 64.7 °C
• Flash Point: 48.2 °F; 9 °C
• Density: 0.854 g/mL at 25 °C
• Refractive Index: n20/D 1.364

Safety Information

• European Hazard Symbols: Flammable (F); Toxic (T)
• UN Number: 1230
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-23/24/25-39/23/24/25
• Safety Statements: 16-36/37-45
• GHS Pictograms: GHS02; GHS06; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H301 + H311 + H331-H370
• GHS Precautionary statements: P210-P260-P280-P301 + P310-P311
• RID/ADR: UN 1230 3/PG 2
• Storage Temperature: 2-8°C

Product Information

• Concentration: 20 wt. % in methanol
• Description: amino surface groups
• Mol. Weight: generation 0.0
• Feature: core type ethylenediamine core (2-carbon core)
• No. of surface groups: 4
• Linear Formula: NH2(CH2)2NH2]:(G=0);dendri PAMAM(NH2)4

DETAILS

Sigma Aldrich - 412368

Packaging
5, 25 g in glass bottle
Legal Information
Manufactured by Dendritech®, Inc.
Dendritech is a registered trademark of Dendritech, Inc.
Physical form
Contains 4 surface primary amino groups