(S)-1-(3-Chlorophenyl)ethylamine - ≥97% , CAS No.68297-62-1

CAS: 68297-62-1 Cat. No.: E636022 분자식: C₈H₁₀NCl 분자량: 155.62 Beilstein Registry Number: 4230571 EC 번호: 662-811-1

GRADE & PURITY ≥97%

Synonyms

AC-2283 | (1S)-1-(3-chlorophenyl)ethan-1-amine | (1S)-1-(3-chlorophenyl)ethanamine | SCHEMBL2032469 | (S)-1-(3-Chlorophenyl)ethylamine | DQEYVZASLGNODG-LURJTMIESA-N | A836089 | (S)-1-(3-chlorophenyl)ethanamine | (S)-3-Chloro-alpha-methylbenzylamine, ChiPr

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

동의어

AC-2283 | (1S)-1-(3-chlorophenyl)ethan-1-amine | (1S)-1-(3-chlorophenyl)ethanamine | SCHEMBL2032469 | (S)-1-(3-Chlorophenyl)ethylamine | DQEYVZASLGNODG-LURJTMIESA-N | A836089 | (S)-1-(3-chlorophenyl)ethanamine | (S)-3-Chloro-alpha-methylbenzylamine, ChiPr

사양 및 순도

≥97%

보관 조건

Store at 2-8°C,Protected from light

배송

Wet ice

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순수함

≥97%

이름과 식별자

• Pubchem Sid: 528753310
• 정식 스마일: CC(C1=CC(=CC=C1)Cl)N
• IUPAC Name: (1S)-1-(3-chlorophenyl)ethanamine
• InChIKey: DQEYVZASLGNODG-LURJTMIESA-N
• INCHI: 1S/C8H10ClN/c1-6(10)7-3-2-4-8(9)5-7/h2-6H,10H2,1H3/t6-/m0/s1
• 이성체 SMILES: C[C@@H](C1=CC(=CC=C1)Cl)N
• WGK 독일: 2
• 대체 CAS: 68297-62-1
• 분자량: 155.62
• Beilstein: 4230571
• Reaxy-Rn: 2412315
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2412315&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Chlorobenzenes
• Alternative Parents: Aralkylamines Aryl chlorides Organopnictogen compounds Organochlorides Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aralkylamine - Chlorobenzene - Aryl halide - Aryl chloride - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Organochloride - Organohalogen compound - Primary aliphatic amine - Amine - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.
• 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

화학 및 물리적 특성

• 감도: Light sensitive
• 분자량: 155.620 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 155.05 Da
• Monoisotopic Mass: 155.05 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 105.000
• 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