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

• ChemBase ID: 145263
• Molecular Formular: C62H128N26O12
• Molecular Mass: 1429.84672
• Monoisotopic Mass: 1429.02050367
• SMILES: C(CN(CCC(=O)NCCN)CCNC(=O)CCN(CCC(=O)NCCN(CCC(=O)NCCN)CCC(=O)NCCN)CCN(CCC(=O)NCCN(CCC(=O)NCCN)CCC(=O)NCCN)CCC(=O)NCCN(CCC(=O)NCCN)CCC(=O)NCCN)C(=O)NCCN
• Canonical SMILES: NCCNC(=O)CCN(CCC(=O)NCCN)CCNC(=O)CCN(CCC(=O)NCCN(CCC(=O)NCCN)CCC(=O)NCCN)CCN(CCC(=O)NCCN(CCC(=O)NCCN)CCC(=O)NCCN)CCC(=O)NCCN(CCC(=O)NCCN)CCC(=O)NCCN
• InChI: InChI=1S/C62H128N26O12/c63-13-21-71-51(89)1-33-83(34-2-52(90)72-22-14-64)45-29-79-59(97)9-41-87(42-10-60(98)80-30-46-84(35-3-53(91)73-23-15-65)36-4-54(92)74-24-16-66)49-50-88(43-11-61(99)81-31-47-85(37-5-55(93)75-25-17-67)38-6-56(94)76-26-18-68)44-12-62(100)82-32-48-86(39-7-57(95)77-27-19-69)40-8-58(96)78-28-20-70/h1-50,63-70H2,(H,71,89)(H,72,90)(H,73,91)(H,74,92)(H,75,93)(H,76,94)(H,77,95)(H,78,96)(H,79,97)(H,80,98)(H,81,99)(H,82,100)
• InChIKey: QVWIZHOFYGKROL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-aminoethyl)-3-({2-[(2-aminoethyl)carbamoyl]ethyl}[2-(3-{[2-({2-[bis({2-[(2-aminoethyl)carbamoyl]ethyl})amino]ethyl}carbamoyl)ethyl](2-{bis[2-({2-[bis({2-[(2-aminoethyl)carbamoyl]ethyl})amino]ethyl}carbamoyl)ethyl]amino}ethyl)amino}propanamido)ethyl]amino)propanamide
• IUPAC Traditional name: N-(2-aminoethyl)-3-({2-[(2-aminoethyl)carbamoyl]ethyl}[2-(3-{[2-({2-[bis({2-[(2-aminoethyl)carbamoyl]ethyl})amino]ethyl}carbamoyl)ethyl](2-{bis[2-({2-[bis({2-[(2-aminoethyl)carbamoyl]ethyl})amino]ethyl}carbamoyl)ethyl]amino}ethyl)amino}propanamido)ethyl]amino)propanamide
• Synonyms: PAMAM dendrimer, ethylenediamine core, generation 1.0 solution; PAMAM 树枝状聚合物，乙二胺核，1.0 代 溶液

Database IDs

• CAS Number: 142986-44-5
• MDL Number: MFCD00192448
• PubChem SID: 162239471
• PubChem CID: 15314332

CALCULATED PROPERTIES

• H Acceptors: 26
• H Donor: 20
• LogD (pH = 5.5): -40.046185
• LogD (pH = 7.4): -30.4967
• Log P: -16.511724
• Molar Refractivity: 383.7168 cm^3
• Polarizability: 150.95538 Å^3
• Polar Surface Area: 576.8 Å^2
• Rotatable Bonds: 67
• 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: 0.82 g/mL at 25 °C
• Refractive Index: n20/D 1.362

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: 11-23/24/25-36/37/38-39/23/24/25
• Safety Statements: 16-26-36/37-45
• GHS Pictograms: GHS02; GHS06; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H301 + H311 + H331-H315-H319-H335-H370
• GHS Precautionary statements: P210-P260-P280-P301 + P310-P305 + P351 + P338-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 1.0
• Feature: core type ethylenediamine core (2-carbon core)
• No. of surface groups: 8
• Linear Formula: [NH2(CH2)2NH2]:(G=1);dendri PAMAM(NH2)8

DETAILS

Sigma Aldrich - 412384

Packaging
5, 25 g in glass bottle
Legal Information
Manufactured by Dendritech®, Inc.
Dendritech is a registered trademark of Dendritech, Inc.
Physical form
Contains 8 surface primary amino groups