heptane-1,7-diamine

• ChemBase ID: 74491
• Molecular Formular: C7H18N2
• Molecular Mass: 130.23122
• Monoisotopic Mass: 130.14699859
• SMILES: NCCCCCCCN
• Canonical SMILES: NCCCCCCCN
• InChI: InChI=1S/C7H18N2/c8-6-4-2-1-3-5-7-9/h1-9H2
• InChIKey: PWSKHLMYTZNYKO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: heptane-1,7-diamine
• IUPAC Traditional name: 1,7-diaminoheptane
• Synonyms: 1,7-Heptanediamine; Heptamethylenediamine; 1,7-Diaminoheptane; 1,7-Diaminoheptane; heptane-1,7-diamine; 1,7-庚二胺; 庚亚甲基二胺; 1,7-二氨基庚烷

Database IDs

• CAS Number: 646-19-5
• EC Number: 211-468-2
• MDL Number: MFCD00008246
• Beilstein Number: 1734159
• PubChem SID: 24893528; 24859821; 162039410
• PubChem CID: 69533

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -5.5593905
• LogD (pH = 7.4): -4.7198377
• Log P: 0.48858574
• Molar Refractivity: 41.1816 cm^3
• Polarizability: 16.705751 Å^3
• Polar Surface Area: 52.04 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 26-29 °C(lit.); 26-30°C
• Boiling Point: 223-225 °C(lit.); 223-225°C
• Flash Point: 190.4 °F; 87°C(188°F); 88 °C
• Density: 0.860
• Refractive Index: 1.4590
• Hydrophobicity(logP): 0.623

Safety Information

• Storage Warning: Air Sensitive
• European Hazard Symbols: Corrosive (C)
• UN Number: 3259; UN3259
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2; III
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• TSCA Listed: 否
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314; H314-H318
• GHS Precautionary statements: P280-P305 + P351 + P338-P310; P280-P305+P351+P338-P309-P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 3259 8/PG 2
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥95.0% (T); 95%; 95+%; 98%
• Grade: purum
• Linear Formula: NH2(CH2)7NH2

DETAILS

MP Biomedicals - 05210153

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02157584

(1,7-Heptanediamine)

Sigma Aldrich - D17408

Packaging
5, 25 g in glass bottle