3,15-bis(2-aminoethyl)-6,9-bis({2-[(2-aminoethyl)amino]ethyl})-3,6,9,12,15-pentaazaheptadecane-1,17-diamine

• ChemBase ID: 303530
• Molecular Formular: C24H63N13
• Molecular Mass: 533.84412
• Monoisotopic Mass: 533.53293908
• SMILES: C(N)CN(CCNCCN(CCN(CCNCCN)CCN(CCN)CCN)CCNCCN)CCN
• Canonical SMILES: NCCNCCN(CCN(CCN(CCN)CCN)CCNCCN)CCNCCN(CCN)CCN
• InChI: InChI=1S/C24H63N13/c25-1-7-31-9-18-36(19-12-33-11-17-34(13-3-27)14-4-28)22-24-37(20-10-32-8-2-26)23-21-35(15-5-29)16-6-30/h31-33H,1-30H2
• InChIKey: WJNSGRVBTZNVQG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,15-bis(2-aminoethyl)-6,9-bis({2-[(2-aminoethyl)amino]ethyl})-3,6,9,12,15-pentaazaheptadecane-1,17-diamine
• IUPAC Traditional name: 3,15-bis(2-aminoethyl)-6,9-bis({2-[(2-aminoethyl)amino]ethyl})-3,6,9,12,15-pentaazaheptadecane-1,17-diamine
• Synonyms: Polyethyleneimine, branched, M.W. 70,000; Polyethyleneimine, branched, M.W. 600; Polyethyleneimine, branched, M.W. 1,800; 聚乙烯亚胺, 支链的, M.W. 70,000; 聚乙烯亚胺, 支链的, M.W. 600; 聚乙烯亚胺, 支链的, M.W. 1,800

Database IDs

• CAS Number: 9002-98-6
• MDL Number: MFCD00803910

CALCULATED PROPERTIES

• H Acceptors: 13
• H Donor: 9
• LogD (pH = 5.5): -28.372162
• LogD (pH = 7.4): -19.982761
• Log P: -5.62901
• Molar Refractivity: 159.9174 cm^3
• Polarizability: 64.82251 Å^3
• Polar Surface Area: 205.17 Å^2
• Rotatable Bonds: 30
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: Liquid

Safety Information

• RTECS: TQ7915000
• European Hazard Symbols: X
• Risk Statements: 22
• Safety Statements: 23-36-60; 36
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H302; H303
• GHS Precautionary statements: P264-P270-P301+P312-P330-P501A; P312

Product Information

• Purity: 30% w/v aq. soln.; 99%