Benzylamine-¹⁵N - ≥98 atom% 15N , CAS No.42927-57-1

CAS: 42927-57-1 Cat. No.: B471856 Formula: C₇H₉¹⁵N Peso molecolare: 108.15 Numero EC: 687-198-8

GRADE & PURITY ≥98 atom% 15N

Synonyms

Benzylamine-15N | 15N Labeled benzylamine | DTXSID40434784 | SCHEMBL1331207 | AKOS015889160 | Benzylamine-15N, 98 atom % 15N | a-Aminotoluene-15N | phenylmethan(15N)amine | Benzenemethanamine-15N

Storage

Room temperature

Specifications

Sinonimi

Benzylamine-15N | 15N Labeled benzylamine | DTXSID40434784 | SCHEMBL1331207 | AKOS015889160 | Benzylamine-15N, 98 atom % 15N | a-Aminotoluene-15N | phenylmethan(15N)amine | Benzenemethanamine-15N

Specifiche e purezza

≥98 atom% 15N

Condizioni di conservazione di stoccaggio

Room temperature

Purezza

≥98 atom% 15N

Nomi e identificatori

• Sorrisi canonici: C1=CC=C(C=C1)CN
• IUPAC Name: phenylmethan(15N)amine
• InChIKey: WGQKYBSKWIADBV-VJJZLTLGSA-N
• INCHI: 1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-5H,6,8H2/i8+1
• Isomeri SMILES: C1=CC=C(C=C1)C[15NH2]
• Peso molecolare: 108.15
• Reaxy-Rn: 741984
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=741984&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 Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylmethylamine - Benzylamine - Aralkylamine - Organic nitrogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Primary aliphatic amine - Amine - Aromatic homomonocyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Peso molecolare: 108.150 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 108.071 Da
• Monoisotopic Mass: 108.071 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 55.400
• Isotope Atom Count: 1
• 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: 1