bis((4-aminobutyl)(3-aminopropyl)amine); tris(phosphoric acid)

• ChemBase ID: 102756
• Molecular Formular: C14H47N6O12P3
• Molecular Mass: 584.477263
• Monoisotopic Mass: 584.24648086
• SMILES: NCCCCNCCCN.NCCCCNCCCN.OP(=O)(O)O.OP(=O)(O)O.OP(=O)(O)O
• Canonical SMILES: OP(=O)(O)O.OP(=O)(O)O.OP(=O)(O)O.NCCCNCCCCN.NCCCNCCCCN
• InChI: InChI=1S/2C7H19N3.3H3O4P/c2*8-4-1-2-6-10-7-3-5-9;3*1-5(2,3)4/h2*10H,1-9H2;3*(H3,1,2,3,4)
• InChIKey: RQFVSMCFDFGRDX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis((4-aminobutyl)(3-aminopropyl)amine); tris(phosphoric acid)
• IUPAC Traditional name: tris(phosphoric acid); bis(spermidine)
• Synonyms: Dispermidine triphosphate; SPERMIDINE PHOSPHATE SALT HEXAHYDRATE; SPERMIDINE PHOSPHATE

Database IDs

• CAS Number: 23273-82-7; 49721-50-8
• EC Number: 256-447-9
• PubChem SID: 162088287
• PubChem CID: 16219943

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -10.062785
• LogD (pH = 7.4): -7.799325
• Log P: -1.1495639
• Molar Refractivity: 44.9684 cm^3
• Polarizability: 18.22489 Å^3
• Polar Surface Area: 64.07 Å^2
• Rotatable Bonds: 14
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Condition: 0°C
• RTECS: EJ7020000

DETAILS

MP Biomedicals - 02102943

Phosphate Salt

MP Biomedicals - 05209227

MP Biomedicals Rare Chemical collection