N-(2-aminoethyl)pyridin-2-amine

• ChemBase ID: 177188
• Molecular Formular: C7H11N3
• Molecular Mass: 137.18234
• Monoisotopic Mass: 137.09529737
• SMILES: c1ccnc(c1)NCCN
• Canonical SMILES: NCCNc1ccccn1
• InChI: InChI=1S/C7H11N3/c8-4-6-10-7-3-1-2-5-9-7/h1-3,5H,4,6,8H2,(H,9,10)
• InChIKey: TYHXIJJQIJKFSO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-aminoethyl)pyridin-2-amine; N1-(pyridin-2-yl)ethane-1,2-diamine
• IUPAC Traditional name: N-(2-aminoethyl)pyridin-2-amine; N1-(pyridin-2-yl)ethane-1,2-diamine
• Synonyms: N-2-Pyridinyl-1,2-ethanediamine; 2-[(2-Aminoethyl)amino]pyridine; 2-(2-Pyridylamino)ethylamine; N-(2-Aminoethyl)pyridine-2-amine; N-(2-Pyridinyl)ethylenediamine; NSC 28695; N-2-Pyridinyl-1,2-ethanediamine; N-(2-aminoethyl)-N-pyridin-2-ylamine; N-(2-aminoethyl)pyridin-2-amine

Database IDs

• CAS Number: 74764-17-3
• MDL Number: MFCD04039672
• PubChem SID: 164233098
• PubChem CID: 410428

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.1058843
• LogD (pH = 7.4): -2.132182
• Log P: 0.025825238
• Molar Refractivity: 42.3582 cm^3
• Polarizability: 15.780409 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Dichloromethane; Methanol
• Apperance: Pale Yellow Low Melting Solid
• Melting Point: 45 - 47°C
• Boiling Point: 93-95°C/0.5 Torr
• Hydrophobicity(logP): 0.426

Safety Information

• Storage Condition: -20°C Freezer

Product Information

• Purity: 95%; 96%