pentane-1,3-diamine

• ChemBase ID: 148884
• Molecular Formular: C5H14N2
• Molecular Mass: 102.17806
• Monoisotopic Mass: 102.11569846
• SMILES: CCC(CCN)N
• Canonical SMILES: NCCC(CC)N
• InChI: InChI=1S/C5H14N2/c1-2-5(7)3-4-6/h5H,2-4,6-7H2,1H3
• InChIKey: WTSXICLFTPPDTL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pentane-1,3-diamine
• IUPAC Traditional name: pentane-1,3-diamine
• Synonyms: 1,3-Diaminopentane; 1,3-Diaminopentane; 1,3-Pentanediamine; Dytek® EP diamine; 1,3-二氨基戊烷; 1,3-二氨基戊烷; 1,3-戊二胺; Dytek® EP 二胺

Database IDs

• CAS Number: 589-37-7
• MDL Number: MFCD00134550
• Beilstein Number: 6796726
• PubChem SID: 24863830; 162243056
• PubChem CID: 102444

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -6.307321
• LogD (pH = 7.4): -4.665212
• Log P: -0.4233855
• Molar Refractivity: 31.6768 cm^3
• Polarizability: 13.012255 Å^3
• Polar Surface Area: 52.04 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -121 °C(lit.)
• Boiling Point: 164 °C(lit.)
• Flash Point: 138.2 °F; 59 °C
• Density: 0.855 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.452; n20/D 1.452(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 2734
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS02; GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H314
• GHS Precautionary statements: P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2734 8/PG 2

Product Information

• Purity: ≥97.0% (GC); 98%
• Grade: purum
• Impurities: ≤0.2% water
• Linear Formula: CH3CH2CH(NH2)CH2CH2NH2

DETAILS

Sigma Aldrich - 381675

Packaging
1 L in glass bottle
250 mL in glass bottle
Legal Information
DYTEK is a registered trademark of Invista North America S.a.r.l.