(R)-2-(Aminomethyl)-1-Boc-pyrrolidine - ≥98% , CAS No.259537-92-3

CAS: 259537-92-3 Cat. No.: A121647 Molecular Weight: 200.28 Beilstein Registry Number: 8905234 EC Number: 636-765-8

GRADE & PURITY ≥98%

Synonyms

(R)-2-(Aminomethyl)-1-pyrrolidinecarboxylic Acid tert-Butyl Ester | (R)-1-Boc-2-(aminomethyl)pyrrolidine | AKOS005258694 | AMY32653 | (R)-2-(Aminomethyl)-1-N-Boc-pyyrolidine | Q-102872 | tert-butyl (2R)-2-(aminomethyl)-1-pyrrolidinecarboxylate | tert-Buty

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

(R)-2-(Aminomethyl)-1-pyrrolidinecarboxylic Acid tert-Butyl Ester | (R)-1-Boc-2-(aminomethyl)pyrrolidine | AKOS005258694 | AMY32653 | (R)-2-(Aminomethyl)-1-N-Boc-pyyrolidine | Q-102872 | tert-butyl (2R)-2-(aminomethyl)-1-pyrrolidinecarboxylate | tert-Buty

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

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

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CC(C)(C)OC(=O)N1CCCC1CN
• IUPAC Name: tert-butyl (2R)-2-(aminomethyl)pyrrolidine-1-carboxylate
• InChIKey: SOGXYCNKQQJEED-MRVPVSSYSA-N
• INCHI: 1S/C10H20N2O2/c1-10(2,3)14-9(13)12-6-4-5-8(12)7-11/h8H,4-7,11H2,1-3H3/t8-/m1/s1
• Isomeric SMILES: CC(C)(C)OC(=O)N1CCC[C@@H]1CN
• WGK Germany: 3
• Molecular Weight: 200.28
• Beilstein: 8905234
• Reaxy-Rn: 8764681
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8764681&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyrrolidines
      • Subclass Pyrrolidine carboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyrrolidines
• Subclass: Pyrrolidine carboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrolidine carboxylic acids
• Alternative Parents: Carbamate esters Organic carbonic acids and derivatives Azacyclic compounds Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Pyrrolidine carboxylic acid - Carbamic acid ester - Carbonic acid derivative - Azacycle - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Carbonyl group - Amine - Organopnictogen compound - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrrolidine carboxylic acids. These are compounds containing a pyrrolidine ring which bears a carboxylic acid. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
• 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

• Sensitivity: Air Sensitive,Heat Sensitive
• Refractive Index: 1.47
• Specific Rotation[α]: 47° (C=1,CHCl3)
• Flash Point(°C): 123 °C
• Boil Point(°C): 98-110°C/1mmHg
• Molecular Weight: 200.280 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 200.152 Da
• Monoisotopic Mass: 200.152 Da
• Topological Polar Surface Area: 55.600 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 211.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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