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CS-W001157 4
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Methyl 4-(1-aminocyclopropyl)benzoate hydrochloride

  • CAS No. 1014645-87-4

  • Cat. No. CS-0002291
  • Molecule weight227.69
  • Purity≥97%
  • MDL No.MFCD11616336

*For research and further manufacturing use only, not for direct human use.

Methyl 4-(1-aminocyclopropyl)benzoate hydrochloride|CS-0002291

Structure of 1014645-87-4

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General Information

  • CAS No. 1014645-87-4
  • Cat. No. CS-0002291
  • Purity ≥97%
  • MDL No. MFCD11616336
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₄ClNO₂
  • Molecular Weight 227.69
  • Synonym(s) 1-[4-(methoxycarbonyl)phenyl]-1-methylethane
  • SMILES O=C(OC)C1=CC=C(C=C1)C2(N)CC2.Cl

Description

Methyl 4-(1-aminocyclopropyl)benzoate hydrochloride features a cyclopropylamine moiety attached to a para-methylbenzoate scaffold, delivering a polar, bench-stable amine handle. This salt form enhances solubility and stability in aqueous media, enabling straightforward incorporation into peptide coupling and bioconjugation workflows.

Application

Methyl 4-(1-aminocyclopropyl)benzoate hydrochloride serves as a versatile building block for medicinal chemistry, enabling the construction of bioactive heterocycles and pharmaceutical scaffolds. The cyclopropylamine moiety provides enhanced metabolic stability and conformational rigidity, while the ester group offers facile derivatization via hydrolysis or coupling reactions. Bench-stable and readily purified, it functions effectively in standard peptide coupling, reductive amination, and Suzuki-type transformations within robust synthetic workflows.

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   52.32
  • LogP   1.8428
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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