(S)-(+)-1,2,3,4-Tetrahydro-1-naphthylamine - ≥97% , CAS No.23357-52-0

CAS: 23357-52-0 Cat. No.: T401554 Molecular Weight: 147.22 Beilstein Registry Number: 2360279 EC Number: 629-348-7 PubChem CID: 7058074

GRADE & PURITY ≥97%

Synonyms

(S)-1,2,3,4-tetrahydro-1-naphtylamine | AC-26799 | (S)-(+)-1,2,3,4,-Tetrahydro-1-naphthylamine | EN300-330138 | (S)-(1,2,3,4-TETRAHYDRO-NAPHTHALEN-1-YL)AMINE | (1S)-1,2,3,4-tetrahydro-1-naphthylamine | F8886-0006 | (S)-1-AMINOTETRALIN | 1-Aminotetralin, (

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

Application

(S)-(+)-1,2,3,4-Tetrahydro-1-naphthylamine is used as a chiral amine derivative used in studies of real-time chiral discrimination of enantiomers as well as in studies of kinetic resolution of chiral amines with ω-transaminase using an enzyme-membrane reactor.

Specifications

Synonyms

(S)-1, 2, 3, 4-tetrahydro-1-naphtylamine | AC-26799 | (S)-(+)-1, 2, 3, 4, -Tetrahydro-1-naphthylamine | EN300-330138 | (S)-(1, 2, 3, 4-TETRAHYDRO-NAPHTHALEN-1-YL)AMINE | (1S)-1, 2, 3, 4-tetrahydro-1-naphthylamine | F8886-0006 | (S)-1-AMINOTETRALIN | 1-Aminotetralin, (

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C1CC(C2=CC=CC=C2C1)N
• IUPAC Name: (1S)-1,2,3,4-tetrahydronaphthalen-1-amine
• InChIKey: JRZGPXSSNPTNMA-JTQLQIEISA-N
• INCHI: 1S/C10H13N/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,10H,3,5,7,11H2/t10-/m0/s1
• Isomeric SMILES: C1C[C@@H](C2=CC=CC=C2C1)N
• WGK Germany: 3
• PubChem CID: 7058074
• UN Number: 2735
• Molecular Weight: 147.22
• Beilstein: 2360279
• Reaxy-Rn: 2360279

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Tetralins

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Tetralins
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetralins
• Alternative Parents: Aralkylamines Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Tetralin - Aralkylamine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Primary aliphatic amine - Amine - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as tetralins. These are polycyclic aromatic compounds containing a tetralin moiety, which consists of a benzene fused to a cyclohexane.
• 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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Water solubility: 10 g/l at 20 °C
• Sensitivity: Air Sensitive
• Refractive Index: 1.565
• Specific Rotation[α]: 28° (C=2,MeOH)
• Boil Point(°C): 118-120°/8mm
• Molecular Weight: 147.220 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 147.105 Da
• Monoisotopic Mass: 147.105 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 133.000
• 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

References

1. Zhengwei Yang, Haolin Lu, Yu Zhang, Baipeng Yin, Hong Wang, Sehrish Gull, Wei Qin, Yongsheng Chen, Jiannian Yao, Chuang Zhang, Guankui Long.  (2024)  A Universal Strategy to Enhance Circularly Polarized Luminescence Brightness in Chiral Perovskites.  Laser & Photonics Reviews,      [PMID:] [10.1002/lpor.202400040]