1-(Z-amino)cyclopropanecarboxylic acid - ≥98%(HPLC) , CAS No.84677-06-5

CAS: 84677-06-5 Cat. No.: Z129139 Molecular Weight: 235.24 Beilstein Registry Number: 4192431 EC Number: 635-918-6 PubChem CID: 3589012

GRADE & PURITY ≥98%(HPLC)

Synonyms

1-(Cbz-amino)cyclopropanecarboxylic acid | 1-(benzyloxycarbonylamino)cyclopropanecarboxylic acid | 1-(Carbobenzoxyamino)cyclopropanecarboxylic Acid | Z-1-Aminocyclopropane-1-carboxylic acid | 1-(Benzyloxycarbonylamino)cyclopropyl-1-carboxylic acid | 1-(Be

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

1-(Cbz-amino)cyclopropanecarboxylic acid | 1-(benzyloxycarbonylamino)cyclopropanecarboxylic acid | 1-(Carbobenzoxyamino)cyclopropanecarboxylic Acid | Z-1-Aminocyclopropane-1-carboxylic acid | 1-(Benzyloxycarbonylamino)cyclopropyl-1-carboxylic acid | 1-(Be

Specifications & Purity

≥98%(HPLC)

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 504762624
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762624
• Canonical Smiles: C1CC1(C(=O)O)NC(=O)OCC2=CC=CC=C2
• IUPAC Name: 1-(phenylmethoxycarbonylamino)cyclopropane-1-carboxylic acid
• InChIKey: KHINKCGJKZSHAJ-UHFFFAOYSA-N
• INCHI: 1S/C12H13NO4/c14-10(15)12(6-7-12)13-11(16)17-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,13,16)(H,14,15)
• Isomeric SMILES: C1CC1(C(=O)O)NC(=O)OCC2=CC=CC=C2
• WGK Germany: 3
• PubChem CID: 3589012
• Molecular Weight: 235.24
• Beilstein: 4192431

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzyloxycarbonyls

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzyloxycarbonyls
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzyloxycarbonyls
• Alternative Parents: Alpha amino acids and derivatives Cyclopropanecarboxylic acids Carbamate esters Monocarboxylic acids and derivatives Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alpha-amino acid or derivatives - Benzyloxycarbonyl - Cyclopropanecarboxylic acid - Cyclopropanecarboxylic acid or derivatives - Carbamic acid ester - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: Soluble in Methanol
• Sensitivity: Heat Sensitive
• Melt Point(°C): 159°C
• Molecular Weight: 235.240 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 235.084 Da
• Monoisotopic Mass: 235.084 Da
• Topological Polar Surface Area: 75.600 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 306.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1