N-Benzyl-3-(hydroxymethyl)morpholine - ≥97.0% , CAS No.110167-20-9

CAS: 110167-20-9 Cat. No.: B343777 Formule: C₁₂H₁₇NO₂ Poids moléculaire: 207.26 Numéro CE: 873-005-6

GRADE & PURITY ≥97.0%

Synonyms

4-Benzyl-3-hydroxymethylmorpholine | FT-0771076 | MFCD06799482 | SY065772 | J-502108 | MFCD04038651 | J-502325 | SB30113 | EN300-72878 | SCHEMBL945183 | (4-Benzyl-morpholin-3-yl)-methanol | (4-benzylmorpholin-3-yl)methanol | AS-36390 | FT-0725157 | (R)-4-

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonymes

4-Benzyl-3-hydroxymethylmorpholine | FT-0771076 | MFCD06799482 | SY065772 | J-502108 | MFCD04038651 | J-502325 | SB30113 | EN300-72878 | SCHEMBL945183 | (4-Benzyl-morpholin-3-yl)-methanol | (4-benzylmorpholin-3-yl)methanol | AS-36390 | FT-0725157 | (R)-4-

Spécifications et pureté

≥97.0%

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥97.0%

Noms et identifiants

• Sourires canoniques: C1COCC(N1CC2=CC=CC=C2)CO
• IUPAC Name: (4-benzylmorpholin-3-yl)methanol
• InChIKey: CPLXVETYMUMERG-UHFFFAOYSA-N
• INCHI: 1S/C12H17NO2/c14-9-12-10-15-7-6-13(12)8-11-4-2-1-3-5-11/h1-5,12,14H,6-10H2
• Isomères SMILES: C1COCC(N1CC2=CC=CC=C2)CO
• Poids moléculaire: 207.26
• Reaxy-Rn: 5257863
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5257863&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Phenylmethylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Phenylmethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylmethylamines
• Alternative Parents: Benzylamines Aralkylamines Morpholines Trialkylamines 1,2-aminoalcohols Oxacyclic compounds Dialkyl ethers Azacyclic compounds Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzylamine - Phenylmethylamine - Aralkylamine - Oxazinane - Morpholine - 1,2-aminoalcohol - Tertiary aliphatic amine - Tertiary amine - Oxacycle - Azacycle - Organoheterocyclic compound - Dialkyl ether - Ether - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Primary alcohol - Organic nitrogen compound - Amine - Alcohol - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylmethylamines. These are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine.
• 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

Propriétés chimiques et physiques

• Poids moléculaire: 207.270 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 207.126 Da
• Monoisotopic Mass: 207.126 Da
• Topological Polar Surface Area: 32.700 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 180.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1