1-ethylguanidine hydrochloride

• ChemBase ID: 295488
• Molecular Formular: C3H10ClN3
• Molecular Mass: 123.5846
• Monoisotopic Mass: 123.05632502
• SMILES: CCNC(=N)N.Cl
• Canonical SMILES: CCNC(=N)N.Cl
• InChI: InChI=1S/C3H9N3.ClH/c1-2-6-3(4)5;/h2H2,1H3,(H4,4,5,6);1H
• InChIKey: GVSGVBVZXJOLDD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethylguanidine hydrochloride
• IUPAC Traditional name: 1-ethylguanidine hydrochloride
• Synonyms: N-Ethylguanidine hydrochloride; N-乙基盐酸胍

Database IDs

• CAS Number: 19341-54-9
• EC Number: 242-974-1
• MDL Number: MFCD00012577
• PubChem SID: 180681019
• PubChem CID: 11297964

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -3.0178745
• LogD (pH = 7.4): -3.017388
• Log P: -0.60242164
• Molar Refractivity: 35.382 cm^3
• Polarizability: 9.264662 Å^3
• Polar Surface Area: 61.9 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 115-118°C

Safety Information

• Storage Warning: Hygroscopic
• RTECS: MF2450000
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 99%