(4-aminobutyl)(3-aminopropyl)amine hydrochloride

• ChemBase ID: 153409
• Molecular Formular: C7H20ClN3
• Molecular Mass: 181.7068
• Monoisotopic Mass: 181.13457534
• SMILES: C(CCNCCCN)CN.Cl
• Canonical SMILES: NCCCNCCCCN.Cl
• InChI: InChI=1S/C7H19N3.ClH/c8-4-1-2-6-10-7-3-5-9;/h10H,1-9H2;1H
• InChIKey: WRROLJSGZKCWGR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-aminobutyl)(3-aminopropyl)amine hydrochloride
• IUPAC Traditional name: spermidine hydrochloride
• Synonyms: Spermidine-8-14C trihydrochloride

Database IDs

• CAS Number: 133448-26-7
• MDL Number: MFCD00213923
• PubChem SID: 24899838; 162247548
• PubChem CID: 16219989

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: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: aqueous ethanol solution

Safety Information

• European Hazard Symbols: R
• UN Number: 2910
• German water hazard class: -
• Hazard Class: 7
• RID/ADR: UN 2910 7
• Storage Temperature: 2-8°C

Product Information

• Extent of Labeling: ≥10 mCi per mmol
• Linear Formula: NH2[CH2]3NH(CH2)314(CH2)NH2 · 3HCl

DETAILS

Sigma Aldrich - S9389

Packaging
serum bottle
Physical form
Aqueous solution containing 2% ethanol