β-Amino-4-(1-methylethyl)benzenepropanoic acid

CAS Registry Number®

117391-53-4

CAS Name

β-Amino-4-(1-methylethyl)benzenepropanoic acid

Molecular Formula

C12H17NO2

Molecular Mass

207.27

Cite this Page

β-Amino-4-(1-methylethyl)benzenepropanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=117391-53-4 (retrieved 2024-11-21) (CAS RN: 117391-53-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    243.1-243.4 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C12H17NO2/c1-8(2)9-3-5-10(6-4-9)11(13)7-12(14)15/h3-6,8,11H,7,13H2,1-2H3,(H,14,15)

InChIKey

InChIKey=XRDCVKSGZNDEDT-UHFFFAOYSA-N

SMILES

C(CC(O)=O)(N)C1=CC=C(C(C)C)C=C1

Canonical SMILES

O=C(O)CC(N)C1=CC=C(C=C1)C(C)C

Other Names for this Substance

  • Benzenepropanoic acid, β-amino-4-(1-methylethyl)-
  • β-Amino-4-(1-methylethyl)benzenepropanoic acid
  • 3-Amino-3-[4-(propan-2-yl)phenyl]propanoic acid
  • 3-Amino-3-(4-isopropyl-phenyl)-propionic acid
  • 3-Amino-3-(4-isopropylphenyl)propanoic acid

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration