3-(trimethoxysilyl)propyl 3-{[2-(3-{[2-({2-[bis({3-oxo-3-[3-(trimethoxysilyl)propoxy]propyl})amino]ethyl}carbamoyl)ethyl](3-{bis[2-({2-[bis({3-oxo-3-[3-(trimethoxysilyl)propoxy]propyl})amino]ethyl}carbamoyl)ethyl]amino}propyl)amino}propanamido)ethyl]({3-oxo-3-[3-(trimethoxysilyl)propoxy]propyl})amino}propanoate

• ChemBase ID: 134652
• Molecular Formular: C95H194N10O44Si8
• Molecular Mass: 2405.28146
• Monoisotopic Mass: 2403.14045179
• SMILES: CO[Si](CCCOC(=O)CCN(CCC(=O)OCCC[Si](OC)(OC)OC)CCNC(=O)CCN(CCCN(CCC(=O)NCCN(CCC(=O)OCCC[Si](OC)(OC)OC)CCC(=O)OCCC[Si](OC)(OC)OC)CCC(=O)NCCN(CCC(=O)OCCC[Si](OC)(OC)OC)CCC(=O)OCCC[Si](OC)(OC)OC)CCC(=O)NCCN(CCC(=O)OCCC[Si](OC)(OC)OC)CCC(=O)OCCC[Si](OC)(OC)OC)(OC)OC
• Canonical SMILES: CO[Si](CCCOC(=O)CCN(CCC(=O)OCCC[Si](OC)(OC)OC)CCNC(=O)CCN(CCC(=O)NCCN(CCC(=O)OCCC[Si](OC)(OC)OC)CCC(=O)OCCC[Si](OC)(OC)OC)CCCN(CCC(=O)NCCN(CCC(=O)OCCC[Si](OC)(OC)OC)CCC(=O)OCCC[Si](OC)(OC)OC)CCC(=O)NCCN(CCC(=O)OCCC[Si](OC)(OC)OC)CCC(=O)OCCC[Si](OC)(OC)OC)(OC)OC
• InChI: InChI=1S/C95H194N10O44Si8/c1-118-150(119-2,120-3)76-26-68-142-88(110)38-56-102(57-39-89(111)143-69-27-77-151(121-4,122-5)123-6)64-46-96-84(106)34-52-100(53-35-85(107)97-47-65-103(58-40-90(112)144-70-28-78-152(124-7,125-8)126-9)59-41-91(113)145-71-29-79-153(127-10,128-11)129-12)50-25-51-101(54-36-86(108)98-48-66-104(60-42-92(114)146-72-30-80-154(130-13,131-14)132-15)61-43-93(115)147-73-31-81-155(133-16,134-17)135-18)55-37-87(109)99-49-67-105(62-44-94(116)148-74-32-82-156(136-19,137-20)138-21)63-45-95(117)149-75-33-83-157(139-22,140-23)141-24/h25-83H2,1-24H3,(H,96,106)(H,97,107)(H,98,108)(H,99,109)
• InChIKey: FLJGEUIAMXGTDP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(trimethoxysilyl)propyl 3-{[2-(3-{[2-({2-[bis({3-oxo-3-[3-(trimethoxysilyl)propoxy]propyl})amino]ethyl}carbamoyl)ethyl](3-{bis[2-({2-[bis({3-oxo-3-[3-(trimethoxysilyl)propoxy]propyl})amino]ethyl}carbamoyl)ethyl]amino}propyl)amino}propanamido)ethyl]({3-oxo-3-[3-(trimethoxysilyl)propoxy]propyl})amino}propanoate
• IUPAC Traditional name: 3-(trimethoxysilyl)propyl 3-{[2-(3-{[2-({2-[bis({3-oxo-3-[3-(trimethoxysilyl)propoxy]propyl})amino]ethyl}carbamoyl)ethyl](3-{bis[2-({2-[bis({3-oxo-3-[3-(trimethoxysilyl)propoxy]propyl})amino]ethyl}carbamoyl)ethyl]amino}propyl)amino}propanamido)ethyl]({3-oxo-3-[3-(trimethoxysilyl)propoxy]propyl})amino}propanoate
• Synonyms: PAMAM-OS-trimethoxysilyl dendrimer, generation 0 solution; PAMAM-OS-三甲氧基甲硅烷基树枝状聚合物，0 代 溶液

Database IDs

• MDL Number: MFCD04040987
• PubChem SID: 24881320; 162228928
• PubChem CID: 16217422

CALCULATED PROPERTIES

• Acid pKa: 15.261626
• H Acceptors: 42
• H Donor: 4
• LogD (pH = 5.5): -18.077253
• LogD (pH = 7.4): -8.025785
• Log P: -1.6323
• Molar Refractivity: 545.275 cm^3
• Polarizability: 236.86566 Å^3
• Polar Surface Area: 567.76 Å^2
• Rotatable Bonds: 116
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: (10 wt. % in isopropanol)
• Boiling Point: 82.4 °C
• Flash Point: 12 °C; 53 °F
• Density: 0.819 g/mL at 25 °C
• Refractive Index: n20/D 1.3859

Safety Information

• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: 1219
• German water hazard class: 1
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 36-67
• Safety Statements: 7-16-24/25-26
• RID/ADR: UN 1219 3/PG 2

Product Information

• Concentration: 10 wt. % in isopropanol
• Description: trimethoxysilyl surface group
• Mol. Weight: generation 0
• Feature: core type ethylenediamine core (2-carbon core)
• No. of surface groups: 8
• Linear Formula: [NH2(CH2)2NH2]:(G=0);dendri PAMAM((NHCH2CH2CO2(CH2)3Si(OCH3)3)8

DETAILS

Sigma Aldrich - 591335

Features and Benefits
Contains 8 surface organosilicon groups.
Legal Information
Manufactured by Dendritech®, Inc.
Dendritech is a registered trademark of Dendritech, Inc.