3-Amino-1-benzhydryl-azetidine mesylate - ≥95% , CAS No.1373253-26-9

CAS: 1373253-26-9 Cat. No.: A190740 Molecular Weight: 334.43 PubChem CID: 56965751

GRADE & PURITY ≥95%

Synonyms

A886521 | 1-(diphenylmethyl)azetidin-3-amine; methanesulfonic acid | 1373253-26-9 | 1-Benzhydrylazetidin-3-amine methanesulfonate | 3-Amino-1-benzhydryl-azetidinemesylate | 3-Amino-1-benzhydryl-azetidine mesylate | MFCD20489148 | AKOS015919695 | 1-benzhyd

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

A886521 | 1-(diphenylmethyl)azetidin-3-amine; methanesulfonic acid | 1373253-26-9 | 1-Benzhydrylazetidin-3-amine methanesulfonate | 3-Amino-1-benzhydryl-azetidinemesylate | 3-Amino-1-benzhydryl-azetidine mesylate | MFCD20489148 | AKOS015919695 | 1-benzhyd

Specifications & Purity

≥95%

Storage

Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Canonical Smiles: CS(=O)(=O)O.C1C(CN1C(C2=CC=CC=C2)C3=CC=CC=C3)N
• IUPAC Name: 1-benzhydrylazetidin-3-amine;methanesulfonic acid
• InChIKey: JICKOKVDHRVNEZ-UHFFFAOYSA-N
• INCHI: 1S/C16H18N2.CH4O3S/c17-15-11-18(12-15)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14;1-5(2,3)4/h1-10,15-16H,11-12,17H2;1H3,(H,2,3,4)
• Isomeric SMILES: CS(=O)(=O)O.C1C(CN1C(C2=CC=CC=C2)C3=CC=CC=C3)N
• PubChem CID: 56965751
• Molecular Weight: 334.43

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Aralkylamines Sulfonyls Organosulfonic acids Methanesulfonates Alkanesulfonic acids Trialkylamines Azetidines Azacyclic compounds Organic oxides Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: Diphenylmethane - Aralkylamine - Methanesulfonate - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Alkanesulfonic acid - Sulfonyl - Azetidine - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Primary amine - Organosulfur compound - Organonitrogen compound - Primary aliphatic amine - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
• 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: 334.400 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 334.135 Da
• Monoisotopic Mass: 334.135 Da
• Topological Polar Surface Area: 92.000 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 322.000
• 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: 2

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