2-(quinoxalin-6-yl)ethan-1-amine

• ChemBase ID: 78287
• Molecular Formular: C10H11N3
• Molecular Mass: 173.21444
• Monoisotopic Mass: 173.09529737
• SMILES: n1ccnc2cc(ccc12)CCN
• Canonical SMILES: NCCc1ccc2c(c1)nccn2
• InChI: InChI=1S/C10H11N3/c11-4-3-8-1-2-9-10(7-8)13-6-5-12-9/h1-2,5-7H,3-4,11H2
• InChIKey: MQUKIHULEODGRN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(quinoxalin-6-yl)ethan-1-amine
• IUPAC Traditional name: 2-(quinoxalin-6-yl)ethanamine
• Synonyms: 2-(Quinoxalin-6-yl)ethylamine; 6-(2-Aminoethyl)quinoxaline

Database IDs

• CAS Number: 910395-65-2
• PubChem SID: 162043062
• PubChem CID: 28952137

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.294695
• LogD (pH = 7.4): -1.5644019
• Log P: 0.713508
• Molar Refractivity: 50.6788 cm^3
• Polarizability: 21.242355 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant