(1,2-13C2)ethane-1,2-diamine dihydrochloride

• ChemBase ID: 134727
• Molecular Formular: C2H10Cl2N2
• Molecular Mass: 135.00550968
• Monoisotopic Mass: 134.02881337
• SMILES: [13CH2]([13CH2]N)N.Cl.Cl
• Canonical SMILES: N[13CH2][13CH2]N.Cl.Cl
• InChI: InChI=1S/C2H8N2.2ClH/c3-1-2-4;;/h1-4H2;2*1H/i1+1,2+1
• InChIKey: OHHBFEVZJLBKEH-BQTCFENJSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1,2-^1^3C₂)ethane-1,2-diamine dihydrochloride
• IUPAC Traditional name: (1,2-^1^3C₂)ethane-1,2-diamine dihydrochloride
• Synonyms: Ethylenediamine-13C2 dihydrochloride; 乙二胺-13C2 二盐酸盐

Database IDs

• CAS Number: 77435-60-0
• MDL Number: MFCD00190310
• PubChem SID: 24881145; 162229003
• PubChem CID: 16217366

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

• Melting Point: 300 °C(lit.)
• Mass Shift: M+2

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-36/37/38-42/43
• Safety Statements: 24/25
• 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
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Product Information

• Isotopic Purity: 99 atom % 13C
• Mol. Weight: mol wt 134.99 by atom % calculation
• Linear Formula: H2N13CH213CH2NH2 . 2HCl

DETAILS

Sigma Aldrich - 586943

Packaging
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.