hexane-1,6-di(15N)amine

• ChemBase ID: 147012
• Molecular Formular: C6H16N2
• Molecular Mass: 118.1914578
• Monoisotopic Mass: 118.12541831
• SMILES: C(CCC[15NH2])CC[15NH2]
• Canonical SMILES: [15NH2]CCCCCC[15NH2]
• InChI: InChI=1S/C6H16N2/c7-5-3-1-2-4-6-8/h1-8H2/i7+1,8+1
• InChIKey: NAQMVNRVTILPCV-BFGUONQLSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: hexane-1,6-di(^1^5N)amine
• IUPAC Traditional name: hexane-1,6-di(^1^5N)amine
• Synonyms: 1,6-Hexanediamine-15N2; Hexamethylenediamine-15N2; 1,6-Diaminohexane-15N2; 1,6-己烷二胺-15N2; 六亚甲基二胺-15N2; 1,6-二氨基己烷-15N2

Database IDs

• CAS Number: 287476-10-2
• MDL Number: MFCD00084218
• PubChem SID: 162241204; 24872278
• PubChem CID: 16213353

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -6.003959
• LogD (pH = 7.4): -5.1644053
• Log P: 0.044017065
• Molar Refractivity: 36.5806 cm^3
• Polarizability: 14.858968 Å^3
• Polar Surface Area: 52.04 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 42-45 °C(lit.)
• Boiling Point: 204-205 °C(lit.)
• Mass Shift: M+2

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 2280
• German water hazard class: 1
• Hazard Class: 8
• Packing Group: 3
• Risk Statements: 21/22-34-37
• Safety Statements: 22-26-36/37/39-45
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H312-H314-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338-P310
• RID/ADR: UN 2280 8/PG 3

Pharmacology Properties

• Gene Information: rat ... Ppm1a(24666)

Product Information

• Isotopic Purity: 98 atom % 15N
• Mol. Weight: mol wt 118.17 by atom % calculation
• Linear Formula: H215N(CH2)615NH2

DETAILS

Sigma Aldrich - 487481

Packaging
250 mg in glass bottle
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.