(4-Chlorophenyl)(phenyl)methanamine - ≥97% , CAS No.28022-43-7

CAS: 28022-43-7 Cat. No.: C588546 분자식: C₁₃H₁₂ClN 분자량: 217.7 EC 번호: 837-547-7

GRADE & PURITY ≥97%

Synonyms

AKOS016048911 | (4-CHLOROPHENYL)PHENYLMETHYLAMINE HYDROCHLORIDE | AMY36430 | AS-40882 | AKOS002679528 | FT-0653347 | SB79348 | EINECS 226-085-6 | STK496058 | EN300-12017 | C13H12NCl | J-501387 | C-(4-Chloro-phenyl)-C-phenyl-methylamine | racemic 4-chlorob

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

동의어

AKOS016048911 | (4-CHLOROPHENYL)PHENYLMETHYLAMINE HYDROCHLORIDE | AMY36430 | AS-40882 | AKOS002679528 | FT-0653347 | SB79348 | EINECS 226-085-6 | STK496058 | EN300-12017 | C13H12NCl | J-501387 | C-(4-Chloro-phenyl)-C-phenyl-methylamine | racemic 4-chlorob

사양 및 순도

≥97%

보관 조건

Store at 2-8°C,Protected from light,Argon charged

배송

Wet ice

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순수함

≥97%

이름과 식별자

Pubchem Sid

508806561

정식 스마일

C1=CC=C(C=C1)C(C2=CC=C(C=C2)Cl)N

IUPAC Name

(4-chlorophenyl)-phenylmethanamine

InChIKey

XAFODXGEQUOEKN-UHFFFAOYSA-N

INCHI

1S/C13H12ClN/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9,13H,15H2

이성체 SMILES

C1=CC=C(C=C1)C(C2=CC=C(C=C2)Cl)N

분자량

217.7

Reaxy-Rn

2102683

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2102683&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Chlorobenzenes Aralkylamines Aryl chlorides Organopnictogen compounds Organochlorides Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylmethane - Chlorobenzene - Halobenzene - Aralkylamine - Aryl halide - Aryl chloride - Primary amine - Organonitrogen compound - Organochloride - Organohalogen compound - Primary aliphatic amine - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organopnictogen compound - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
• 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

작용 메커니즘

화학 및 물리적 특성

• 분자량: 217.690 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 217.066 Da
• Monoisotopic Mass: 217.066 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 181.000
• 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