tetrasodium 3-({2-[bis(2-carboxylatoethyl)amino]ethyl}(2-carboxylatoethyl)amino)propanoate

• ChemBase ID: 150781
• Molecular Formular: C14H20N2Na4O8
• Molecular Mass: 436.27628
• Monoisotopic Mass: 436.08104273
• SMILES: C(CN(CCC(=O)[O-])CCN(CCC(=O)[O-])CCC(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+].[Na+]
• Canonical SMILES: [O-]C(=O)CCN(CCC(=O)[O-])CCN(CCC(=O)[O-])CCC(=O)[O-].[Na+].[Na+].[Na+].[Na+]
• InChI: InChI=1S/C14H24N2O8.4Na/c17-11(18)1-5-15(6-2-12(19)20)9-10-16(7-3-13(21)22)8-4-14(23)24;;;;/h1-10H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24);;;;/q;4*+1/p-4
• InChIKey: CJVPOGPEEJPBFT-UHFFFAOYSA-J

NAMES AND DATABASE IDS

Names

• IUPAC name: tetrasodium 3-({2-[bis(2-carboxylatoethyl)amino]ethyl}(2-carboxylatoethyl)amino)propanoate
• IUPAC Traditional name: tetrasodium 3-({2-[bis(2-carboxylatoethyl)amino]ethyl}(2-carboxylatoethyl)amino)propanoate
• Synonyms: PAMAM dendrimer, ethylenediamine core, generation -0.5; PAMAM 树枝状聚合物，乙二胺核，0.5 代

Database IDs

• CAS Number: 67874-43-5
• EC Number: 267-473-5
• MDL Number: MFCD00192445
• PubChem SID: 162244941; 24874537
• PubChem CID: 105877

CALCULATED PROPERTIES

• Acid pKa: 2.8694897
• H Acceptors: 10
• H Donor: 0
• LogD (pH = 5.5): -8.606454
• LogD (pH = 7.4): -12.95063
• Log P: -6.036273
• Molar Refractivity: 124.4916 cm^3
• Polarizability: 31.446291 Å^3
• Polar Surface Area: 167.0 Å^2
• Rotatable Bonds: 15
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: powder
• Melting Point: >350 °C(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: 2-8°C

Product Information

• Description: sodium carboxylate surface groups
• Mol. Weight: generation -0.5
• Feature: core type ethylenediamine core (2-carbon core)
• No. of surface groups: 4
• Linear Formula: [-CH2N(CH2CH2COONa)2]2

DETAILS

Sigma Aldrich - 526142

Packaging
1, 5 g in glass bottle
Legal Information
Manufactured by Dendritech®, Inc.
Dendritech is a registered trademark of Dendritech, Inc.
Physical form
Contains 4 surface carboxylate groups