1-Benzhydryl-3-azetidinol hydrochloride - ≥96% , CAS No.90604-02-7

CAS: 90604-02-7 Cat. No.: B103571 Molecular Weight: 275.78 EC Number: 675-289-5

GRADE & PURITY ≥96%

Synonyms

1-benzhydrylazetidin-3-ol hcl | FT-0648213 | DTXSID60384318 | Q-103147 | 1-Benzhydryl-3-azetidinol HCl | 1-(diphenylmethyl)azetidin-3-ol hydrochloride salt | 1-(Diphenylmethyl)-3-hydroxyazetidine, HCl | 1-(diphenylmethyl)-3-azetidinol hydrochloride | AKOS

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

1-benzhydrylazetidin-3-ol hcl | FT-0648213 | DTXSID60384318 | Q-103147 | 1-Benzhydryl-3-azetidinol HCl | 1-(diphenylmethyl)azetidin-3-ol hydrochloride salt | 1-(Diphenylmethyl)-3-hydroxyazetidine, HCl | 1-(diphenylmethyl)-3-azetidinol hydrochloride | AKOS

Specifications & Purity

≥96%

Storage

Room temperature

Shipped In

Normal

Purity

≥96%

Names and Identifiers

• Pubchem Sid: 488194056
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488194056
• Canonical Smiles: C1C(CN1C(C2=CC=CC=C2)C3=CC=CC=C3)O.Cl
• IUPAC Name: 1-benzhydrylazetidin-3-ol;hydrochloride
• InChIKey: LCHTWRWPHBRTNO-UHFFFAOYSA-N
• INCHI: 1S/C16H17NO.ClH/c18-15-11-17(12-15)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14;/h1-10,15-16,18H,11-12H2;1H
• Isomeric SMILES: C1C(CN1C(C2=CC=CC=C2)C3=CC=CC=C3)O.Cl
• Molecular Weight: 275.78
• Reaxy-Rn: 5363637
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5363637&ln=

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 Trialkylamines Secondary alcohols Azetidines 1,2-aminoalcohols Azacyclic compounds Organopnictogen compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Diphenylmethane - Aralkylamine - 1,2-aminoalcohol - Azetidine - Secondary alcohol - Tertiary amine - Tertiary aliphatic amine - Organoheterocyclic compound - Azacycle - Alcohol - Amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Hydrochloride - Hydrocarbon derivative - Organopnictogen compound - 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

• Melt Point(°C): 172-174°
• Molecular Weight: 275.770 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 275.108 Da
• Monoisotopic Mass: 275.108 Da
• Topological Polar Surface Area: 23.500 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 232.000
• 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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