N-(2-aminoethyl)-3-({2-[(2-aminoethyl)carbamoyl]ethyl}({12-[bis({2-[(2-aminoethyl)carbamoyl]ethyl})amino]dodecyl})amino)propanamide

• ChemBase ID: 134646
• Molecular Formular: C32H68N10O4
• Molecular Mass: 656.94692
• Monoisotopic Mass: 656.54250071
• SMILES: C(CCCCCCN(CCC(=O)NCCN)CCC(=O)NCCN)CCCCCN(CCC(=O)NCCN)CCC(=O)NCCN
• Canonical SMILES: NCCNC(=O)CCN(CCC(=O)NCCN)CCCCCCCCCCCCN(CCC(=O)NCCN)CCC(=O)NCCN
• InChI: InChI=1S/C32H68N10O4/c33-15-19-37-29(43)11-25-41(26-12-30(44)38-20-16-34)23-9-7-5-3-1-2-4-6-8-10-24-42(27-13-31(45)39-21-17-35)28-14-32(46)40-22-18-36/h1-28,33-36H2,(H,37,43)(H,38,44)(H,39,45)(H,40,46)
• InChIKey: MVPBOIZWNUVCLB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-aminoethyl)-3-({2-[(2-aminoethyl)carbamoyl]ethyl}({12-[bis({2-[(2-aminoethyl)carbamoyl]ethyl})amino]dodecyl})amino)propanamide
• IUPAC Traditional name: N-(2-aminoethyl)-3-({2-[(2-aminoethyl)carbamoyl]ethyl}({12-[bis({2-[(2-aminoethyl)carbamoyl]ethyl})amino]dodecyl})amino)propanamide
• Synonyms: PAMAM dendrimer, 1,12-diaminododecane core, generation 0.0 solution; PAMAM 树枝状聚合物，1,12-二氨基十二烷核，0.0 代 溶液

Database IDs

• MDL Number: MFCD05865175
• PubChem SID: 162228922; 24881685
• PubChem CID: 16217508

CALCULATED PROPERTIES

• H Acceptors: 10
• H Donor: 8
• LogD (pH = 5.5): -20.962734
• LogD (pH = 7.4): -14.06511
• Log P: -2.3183315
• Molar Refractivity: 186.136 cm^3
• Polarizability: 73.66544 Å^3
• Polar Surface Area: 226.96 Å^2
• Rotatable Bonds: 33
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: 20 wt.% in methanol
• Boiling Point: 64.7 °C
• Flash Point: 11 °C; 51.8 °F
• Density: 0.791 g/mL at 25 °C
• Refractive Index: n20/D 1.367

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
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US)
• RID/ADR: UN 1230 3/PG 2

Product Information

• Concentration: 20 wt. % in methanol
• Description: amino surface groups
• Mol. Weight: generation 0
• Feature: core type 1,12-diaminododecane core (12-carbon core)
• No. of surface groups: 4
• Linear Formula: [NH2(CH2)12NH2]:(G=0);dendri PAMAM(NH2)4

DETAILS

Sigma Aldrich - 597309

Features and Benefits
Contains 4 surface amino groups.
Packaging
unit weight includes solvent
Legal Information
Mfg. by Dendritic Nanotechnologies Inc. Licensed for research use only.