pentane-1,5-diamine dihydrochloride

• ChemBase ID: 130644
• Molecular Formular: C5H16Cl2N2
• Molecular Mass: 175.09994
• Monoisotopic Mass: 174.06905388
• SMILES: C(CCN)CCN.Cl.Cl
• Canonical SMILES: NCCCCCN.Cl.Cl
• InChI: InChI=1S/C5H14N2.2ClH/c6-4-2-1-3-5-7;;/h1-7H2;2*1H
• InChIKey: FGNLEIGUMSBZQP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pentane-1,5-diamine dihydrochloride
• IUPAC Traditional name: cadaverine dihydrochloride
• Synonyms: Cadaverine dihydrochloride; 1,5-Diaminopentane dihydrochloride; 1,5-Pentanediamine dihydrochloride; Pentamethylenediamine dihydrochloride; 1,5-二氨基戊烷 二盐酸盐; 1,5-戊二胺 二盐酸盐; 五亚甲基二胺 二盐酸盐; 尸胺 二盐酸盐

Database IDs

• CAS Number: 1476-39-7
• EC Number: 216-022-0
• MDL Number: MFCD00012527
• Beilstein Number: 3611329
• PubChem SID: 24860038; 162224922
• PubChem CID: 80282

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -6.4485226
• LogD (pH = 7.4): -5.6088495
• Log P: -0.4005516
• Molar Refractivity: 31.9796 cm^3
• Polarizability: 13.012255 Å^3
• Polar Surface Area: 52.04 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: ~260 °C (dec.); 260-262 °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

Product Information

• Purity: ~98%; ≥99.0% (AT)
• Linear Formula: NH2(CH2)5NH2 · 2HCl

DETAILS

Sigma Aldrich - C8561

包装
1, 5, 25 g in glass bottle

Sigma Aldrich - 33220

Packaging
10 g in glass bottle