N-(2-Thienylmethyl)-β-alanine 1,1-dimethylethyl ester

CAS Registry Number®

131436-69-6

CAS Name

N-(2-Thienylmethyl)-β-alanine 1,1-dimethylethyl ester

Molecular Formula

C12H19NO2S

Molecular Mass

241.35

Cite this Page

N-(2-Thienylmethyl)-β-alanine 1,1-dimethylethyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=131436-69-6 (retrieved 2024-11-23) (CAS RN: 131436-69-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    112-116 °C @ Press: 0.35 Torr

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C12H19NO2S/c1-12(2,3)15-11(14)6-7-13-9-10-5-4-8-16-10/h4-5,8,13H,6-7,9H2,1-3H3

InChIKey

InChIKey=PYCDPIWRRGBUHS-UHFFFAOYSA-N

SMILES

O(C(C)(C)C)C(CCNCC1=CC=CS1)=O

Canonical SMILES

O=C(OC(C)(C)C)CCNCC=1SC=CC1

Other Names for this Substance

  • β-Alanine, N-(2-thienylmethyl)-, 1,1-dimethylethyl ester
  • N-(2-Thienylmethyl)-β-alanine 1,1-dimethylethyl ester

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