(S)-1-(3-Nitrophenyl)ethan-1-amine - ≥97% , CAS No.297730-25-7

CAS: 297730-25-7 Cat. No.: E635872 Formula: C₈H₁₀N₂O₂ Peso molecolare: 166.18

GRADE & PURITY ≥97%

Synonyms

297730-25-7 | (s)-1-(3-nitrophenyl)ethanamine | (S)-3-nitrophenethylamine hcl | (1S)-1-(3-nitrophenyl)ethanamine | (S)-1-(3-Nitrophenyl)ethylamine | (S)-1-(3-NITROPHENYL)-1-AMINOETHANE | (1S)-1-(3-nitrophenyl)ethan-1-amine | (S)-1-(3-nitrophenyl)ethan-1-a

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinonimi

297730-25-7 | (s)-1-(3-nitrophenyl)ethanamine | (S)-3-nitrophenethylamine hcl | (1S)-1-(3-nitrophenyl)ethanamine | (S)-1-(3-Nitrophenyl)ethylamine | (S)-1-(3-NITROPHENYL)-1-AMINOETHANE | (1S)-1-(3-nitrophenyl)ethan-1-amine | (S)-1-(3-nitrophenyl)ethan-1-a

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥97%

Nomi e identificatori

Pubchem Sid

528753311

Sorrisi canonici

CC(C1=CC(=CC=C1)[N+](=O)[O-])N

IUPAC Name

(1S)-1-(3-nitrophenyl)ethanamine

InChIKey

AVIBPONLEKDCPQ-LURJTMIESA-N

INCHI

1S/C8H10N2O2/c1-6(9)7-3-2-4-8(5-7)10(11)12/h2-6H,9H2,1H3/t6-/m0/s1

Isomeri SMILES

C[C@@H](C1=CC(=CC=C1)[N+](=O)[O-])N

Peso molecolare

166.18

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Nitrobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrobenzenes
• Alternative Parents: Nitroaromatic compounds Aralkylamines Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic salts Organic oxides Monoalkylamines Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrobenzene - Nitroaromatic compound - Aralkylamine - C-nitro compound - Organic nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Primary aliphatic amine - Primary amine - Organonitrogen compound - Amine - Organic oxygen compound - Organic nitrogen compound - Organic salt - Organic oxide - Hydrocarbon derivative - Organic cation - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.
• 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: 166.180 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 166.074 Da
• Monoisotopic Mass: 166.074 Da
• Topological Polar Surface Area: 71.800 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 167.000
• 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: 1