3,4-dihydro-2H-pyrrol-5-amine hydrochloride

• ChemBase ID: 180014
• Molecular Formular: C4H9ClN2
• Molecular Mass: 120.58066
• Monoisotopic Mass: 120.04542598
• SMILES: N1=C(CCC1)N.Cl
• Canonical SMILES: NC1=NCCC1.Cl
• InChI: InChI=1S/C4H8N2.ClH/c5-4-2-1-3-6-4;/h1-3H2,(H2,5,6);1H
• InChIKey: JEBHLIYFPKISBI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,4-dihydro-2H-pyrrol-5-amine hydrochloride
• IUPAC Traditional name: 4,5-dihydro-3H-pyrrol-2-amine hydrochloride
• Synonyms: 2-Amino-1-pyrroline hydrochloride; 3,4-Dihydro-2H-pyrrol-5-amine hydrochloride

Database IDs

• CAS Number: 7544-75-4
• PubChem SID: 164235924
• PubChem CID: 12778905

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.9251766
• LogD (pH = 7.4): -2.9202378
• Log P: -0.5097811
• Molar Refractivity: 24.4371 cm^3
• Polarizability: 9.232384 Å^3
• Polar Surface Area: 38.38 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: .97; 95+%