2-aminoethanimidamide dihydrobromide

• ChemBase ID: 152162
• Molecular Formular: C2H9Br2N3
• Molecular Mass: 234.92096
• Monoisotopic Mass: 232.9163213
• SMILES: C(C(=N)N)N.Br.Br
• Canonical SMILES: NCC(=N)N.Br.Br
• InChI: InChI=1S/C2H7N3.2BrH/c3-1-2(4)5;;/h1,3H2,(H3,4,5);2*1H
• InChIKey: SLCZNGZFOVAAED-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-aminoethanimidamide dihydrobromide
• IUPAC Traditional name: 2-aminoethanimidamide dihydrobromide
• Synonyms: 2-Aminoacetamidine dihydrobromide; 2-氨基乙脒 二氢溴酸

Database IDs

• CAS Number: 69816-37-1
• MDL Number: MFCD00671486
• Beilstein Number: 3676692
• PubChem SID: 24850410; 162246307
• PubChem CID: 16211382

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -4.6556597
• LogD (pH = 7.4): -4.298371
• Log P: -1.88459
• Molar Refractivity: 30.4197 cm^3
• Polarizability: 7.809257 Å^3
• Polar Surface Area: 75.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 227-232 °C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥80.0% (CE)
• Impurities: ≤0.1% toluene (H-NMR); ≤0.5% acetic acid; ≤0.5% TBME
• Empirical Formula (Hill Notation): C2H7N3 · 2HBr

DETAILS

Sigma Aldrich - 17259

Packaging
5 g in poly bottle