Benzyl (3S)-2-(L-Valyl)-1,2,3,4-Tetrahydro-3-Isoquinolinecarboxylate Hydrochloride (1:1)
[CAS# 172499-31-9]

Identification

• Name: Benzyl (3S)-2-(L-Valyl)-1,2,3,4-Tetrahydro-3-Isoquinolinecarboxylate Hydrochloride (1:1)
• Synonyms: (S)-Benzyl 2-((S)-2-amino-3-methylbutanoyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate hydrochloride; (S,S)-2-(2-Amino-3-methyl-butyryl)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid benzyl ester hydrochloride; (S,S)-2-(2-amino-3-methylbutyryl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acidbenzylester,hcl
• Molecular Formula: C₂₂H₂₇ClN₂O₃
• Molecular Weight: 402.91
• CAS Registry Number: 172499-31-9
• SMILES: Cl.O=C(OCc1ccccc1)[C@H]3N(C(=O)[C@@H](N)C(C)C)Cc2ccccc2C3
• InChI: 1S/C22H26N2O3.ClH/c1-15(2)20(23)21(25)24-13-18-11-7-6-10-17(18)12-19(24)22(26)27-14-16-8-4-3-5-9-16;/h3-11,15,19-20H,12-14,23H2,1-2H3;1H/t19-,20-;/m0./s1
• InChIKey: WQZKTGMHLDJLKO-FKLPMGAJSA-N

Properties

• Boiling point: 538.1°C at 760 mmHg (Cal.)
• Flash point: 279.2°C (Cal.)
• Refractive index: (Cal.)

Safety Data

• Safety Description: IRRITANT