(3R)-oxolan-3-ylmethanamine hydrochloride - ≥97% , CAS No.1400744-17-3

CAS: 1400744-17-3 Cat. No.: R173894 Molecular Weight: 137.61 EC Number: 891-373-6

GRADE & PURITY ≥97%

Synonyms

(3R)-oxolan-3-ylmethanamine hydrochloride | 1-[(3R)-Oxolan-3-yl]methanamine--hydrogen chloride (1/1) | (R)-(1-Tetrahydrofuran-3-yl)methanamine hydrochloride | A885915 | [(3R)-oxolan-3-yl]methanamine;hydrochloride | 1400744-17-3 | EN300-7401462 | (R)-(Tetr

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

(3R)-oxolan-3-ylmethanamine hydrochloride | 1-[(3R)-Oxolan-3-yl]methanamine--hydrogen chloride (1/1) | (R)-(1-Tetrahydrofuran-3-yl)methanamine hydrochloride | A885915 | [(3R)-oxolan-3-yl]methanamine;hydrochloride | 1400744-17-3 | EN300-7401462 | (R)-(Tetr

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C1COCC1CN.Cl
• IUPAC Name: [(3R)-oxolan-3-yl]methanamine;hydrochloride
• InChIKey: LZHYUVOFRJAJKS-NUBCRITNSA-N
• INCHI: 1S/C5H11NO.ClH/c6-3-5-1-2-7-4-5;/h5H,1-4,6H2;1H/t5-;/m1./s1
• Isomeric SMILES: C1COC[C@H]1CN.Cl
• Molecular Weight: 137.61
• Reaxy-Rn: 15614658
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15614658&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Oxolanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Oxolanes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Oxolanes
• Alternative Parents: Oxacyclic compounds Dialkyl ethers Organopnictogen compounds Monoalkylamines Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Oxolane - Oxacycle - Ether - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Amine - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as oxolanes. These are organic compounds containing an oxolane (tetrahydrofuran) ring, which is a saturated aliphatic five-member ring containing one oxygen and five 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

• Molecular Weight: 137.610 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 137.061 Da
• Monoisotopic Mass: 137.061 Da
• Topological Polar Surface Area: 35.300 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 56.000
• 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: 2

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