ethane-1,2-di(15N)amine dihydrochloride

• ChemBase ID: 139775
• Molecular Formular: C2H10Cl2N2
• Molecular Mass: 135.0070178
• Monoisotopic Mass: 134.01617348
• SMILES: C(C[15NH2])[15NH2].Cl.Cl
• Canonical SMILES: [15NH2]CC[15NH2].Cl.Cl
• InChI: InChI=1S/C2H8N2.2ClH/c3-1-2-4;;/h1-4H2;2*1H/i3+1,4+1
• InChIKey: OHHBFEVZJLBKEH-MWLKZMJOSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethane-1,2-di(^1^5N)amine dihydrochloride
• IUPAC Traditional name: ethane-1,2-di(^1^5N)amine dihydrochloride
• Synonyms: Ethylenediamine-15N2 dihydrochloride; 乙二胺-15N2 二盐酸盐

Database IDs

• CAS Number: 84050-98-6
• MDL Number: MFCD00084212
• PubChem SID: 162234023
• PubChem CID: 71310328

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -5.91292
• LogD (pH = 7.4): -3.7797713
• Log P: -1.4224427
• Molar Refractivity: 17.8686 cm^3
• Polarizability: 7.4730473 Å^3
• Polar Surface Area: 52.04 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Mass Shift: M+2

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 2
• Risk Statements: 22-36/37/38-42/43
• Safety Statements: 22-26-36/37-45
• GHS Pictograms: GHS07; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H315-H317-H319-H334-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338-P342 + P311

Product Information

• Purity: 99% (CP)
• Isotopic Purity: 98 atom % 15N
• Mol. Weight: mol wt 134.97 by atom % calculation
• Linear Formula: H215NCH2CH215NH2 · 2HCl

DETAILS

Sigma Aldrich - 608815

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.