(+)-3-(3-Acetyl-4-(3-(tert-butylamino)-2-hydroxypropoxy)phenyl)-1,1-diethylurea hydrochloride
[CAS# 125638-91-7]

Identification

• Name: (+)-3-(3-Acetyl-4-(3-(tert-butylamino)-2-hydroxypropoxy)phenyl)-1,1-diethylurea hydrochloride
• Synonyms: 3-[3-Acetyl-4-[(2R)-3-(Tert-Butylamino)-2-Hydroxy-Propoxy]Phenyl]-1,1-Diethyl-Urea Hydrochloride; 3-[4-[(2R)-3-(Tert-Butylamino)-2-Hydroxy-Propoxy]-3-Ethanoyl-Phenyl]-1,1-Diethyl-Urea Hydrochloride; (+)-3-(3-Acetyl-4-(3-(Tert-Butylamino)-2-Hydroxypropoxy)Phenyl)-1,1-Diethylurea Hydrochloride
• Molecular Formula: C₂₀H₃₄ClN₃O₄
• Molecular Weight: 415.96
• CAS Registry Number: 125638-91-7
• SMILES: [C@@H](O)(CNC(C)(C)C)COC1=C(C=C(NC(=O)N(CC)CC)C=C1)C(=O)C.[H+].[Cl-]
• InChI: 1S/C20H33N3O4.ClH/c1-7-23(8-2)19(26)22-15-9-10-18(17(11-15)14(3)24)27-13-16(25)12-21-20(4,5)6;/h9-11,16,21,25H,7-8,12-13H2,1-6H3,(H,22,26);1H/t16-;/m1./s1
• InChIKey: VKJHTUVLJYWAEY-PKLMIRHRSA-N

Properties

• Boiling point: 586.5°C at 760 mmHg (Cal.)
• Flash point: 308.5°C (Cal.)