N-[[(2R)-Chroman-2-Yl]Methyl]-N'-(1,4,5,6-Tetrahydropyrimidin-2-Yl)Propane-1,3-Diamine Hydrochloride
[CAS# 155428-00-5]

Identification

• Name: N-[[(2R)-Chroman-2-Yl]Methyl]-N'-(1,4,5,6-Tetrahydropyrimidin-2-Yl)Propane-1,3-Diamine Hydrochloride
• Synonyms: N-[[(2R)-2-Chromanyl]Methyl]-N'-(1,4,5,6-Tetrahydropyrimidin-2-Yl)Propane-1,3-Diamine Hydrochloride; [(2R)-Chroman-2-Yl]Methyl-[3-(1,4,5,6-Tetrahydropyrimidin-2-Ylamino)Propyl]Amine Hydrochloride; Alniditan
• Molecular Formula: C₁₇H₂₇ClN₄O
• Molecular Weight: 338.88
• CAS Registry Number: 155428-00-5
• SMILES: [C@H]2(OC1=CC=CC=C1CC2)CNCCCNC3=NCCCN3.[H+].[Cl-]
• InChI: 1S/C17H26N4O.ClH/c1-2-6-16-14(5-1)7-8-15(22-16)13-18-9-3-10-19-17-20-11-4-12-21-17;/h1-2,5-6,15,18H,3-4,7-13H2,(H2,19,20,21);1H/t15-;/m1./s1
• InChIKey: BHFNHKKGGQTOBO-XFULWGLBSA-N

Properties

• Boiling point: 467.8°C at 760 mmHg (Cal.)
• Flash point: 236.7°C (Cal.)