ethane-1,2-diamine dihydrochloride

• ChemBase ID: 107746
• Molecular Formular: C2H10Cl2N2
• Molecular Mass: 133.0202
• Monoisotopic Mass: 132.02210369
• SMILES: Cl.Cl.NCCN
• Canonical SMILES: NCCN.Cl.Cl
• InChI: InChI=1S/C2H8N2.2ClH/c3-1-2-4;;/h1-4H2;2*1H
• InChIKey: OHHBFEVZJLBKEH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethane-1,2-diamine dihydrochloride
• IUPAC Traditional name: ethylenediamine dihydrochloride
• Synonyms: 1,2-Diaminoethane dihydrochloride; Ethylenediamine dihydrochloride; ETHYLENEDIAMINE DIHYDROCHLORIDE; 1,2-二氨基乙烷 二盐酸盐; 乙二胺 二盐酸盐; 乙二胺二.盐酸盐

Database IDs

• CAS Number: 333-18-6
• EC Number: 206-369-6
• MDL Number: MFCD00012524
• Beilstein Number: 3665235
• PubChem SID: 24851714; 162094864; 24845513
• PubChem CID: 9521

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.); >300°C

Safety Information

• Storage Warning: Hygroscopic
• RTECS: KV3850000
• European Hazard Symbols: X; Harmful (Xn)
• German water hazard class: 2
• Risk Statements: 22-36/37/38-42/43; 48/22-62-63
• Safety Statements: 22-26-36/37-45; 36/37-60
• TSCA Listed: 是
• GHS Pictograms: GHS07; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H315-H317-H319-H334-H335; H361-H373-H302
• GHS Precautionary statements: P260-P281-P301+P312-P308+P313-P405-P501A; P261-P280-P305 + P351 + P338-P342 + P311
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Product Information

• Purity: ≥99.0% (AT); 98%
• Grade: puriss.
• Linear Formula: NH2CH2CH2NH2 · 2HCl

DETAILS

Sigma Aldrich - 195804

Packaging
100, 500 g in poly bottle