Allyl 4-Aminopiperdine-1-carboxylate - ≥95% , CAS No.358969-71-8

CAS: 358969-71-8 Cat. No.: A353797 Molecular Weight: 184.24

GRADE & PURITY ≥95%

Synonyms

MFCD02179415 | A66004 | SCHEMBL19211629 | 4-amino-1-N-alloc-piperidine, AldrichCPR | Prop-2-enyl 4-aminopiperidine-1-carboxylate | allyl4-aminopiperidine-1-carboxylate | Allyl 4-Aminopiperdine-1-carboxylate | 4-Amino-1-N-alloc-piperidine | DTXSID30373335

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

MFCD02179415 | A66004 | SCHEMBL19211629 | 4-amino-1-N-alloc-piperidine, AldrichCPR | Prop-2-enyl 4-aminopiperidine-1-carboxylate | allyl4-aminopiperidine-1-carboxylate | Allyl 4-Aminopiperdine-1-carboxylate | 4-Amino-1-N-alloc-piperidine | DTXSID30373335

Specifications & Purity

≥95%

Storage

Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 488193012
• Canonical Smiles: C=CCOC(=O)N1CCC(CC1)N
• IUPAC Name: prop-2-enyl 4-aminopiperidine-1-carboxylate
• InChIKey: XKLGRJGBMKOQDK-UHFFFAOYSA-N
• INCHI: 1S/C9H16N2O2/c1-2-7-13-9(12)11-5-3-8(10)4-6-11/h2,8H,1,3-7,10H2
• Isomeric SMILES: C=CCOC(=O)N1CCC(CC1)N
• Molecular Weight: 184.24
• Reaxy-Rn: 8834805
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8834805&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Piperidines
      • Subclass Piperidinecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Piperidines
• Subclass: Piperidinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Piperidinecarboxylic acids
• Alternative Parents: Aminopiperidines Carbamate esters Organic carbonic acids and derivatives Azacyclic compounds Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Piperidinecarboxylic acid - 4-aminopiperidine - Carbamic acid ester - Carbonic acid derivative - Azacycle - Amine - Hydrocarbon derivative - Organic oxide - Primary amine - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Primary aliphatic amine - Carbonyl group - Organic nitrogen compound - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as piperidinecarboxylic acids. These are compounds containing a piperidine ring which bears a carboxylic acid 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

• Molecular Weight: 184.240 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 184.121 Da
• Monoisotopic Mass: 184.121 Da
• Topological Polar Surface Area: 55.600 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 186.000
• 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