(S)-1-(3,4-Dichlorophenyl)ethanamine - ≥98% , CAS No.150025-93-7

CAS: 150025-93-7 Cat. No.: S191063 분자식: C₈H₉Cl₂N 분자량: 190.07

GRADE & PURITY ≥98%

Synonyms

1(S)-(3,4-dichlorophenyl)ethylamine | Benzenemethanamine, 3,4-dichloro-a-methyl-, (S)- | MFCD07772667 | AKOS010366658 | (1S)-1-(3,4-dichlorophenyl)ethanamine | BDBM50217344 | Benzenemethanamine,3,4-dichloro-a-methyl-,(aS)- | N10849 | (S)-1-(3,4-Dichloroph

Storage

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

Shipped In

Wet ice

Specifications

동의어

1(S)-(3,4-dichlorophenyl)ethylamine | Benzenemethanamine, 3,4-dichloro-a-methyl-, (S)- | MFCD07772667 | AKOS010366658 | (1S)-1-(3,4-dichlorophenyl)ethanamine | BDBM50217344 | Benzenemethanamine,3,4-dichloro-a-methyl-,(aS)- | N10849 | (S)-1-(3,4-Dichloroph

사양 및 순도

≥98%

보관 조건

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

배송

Wet ice

이 제품은 콜드 체인 배송이 필요합니다.지상 및 기타 경제 서비스는 사용할 수 없습니다.

순수함

≥98%

이름과 식별자

• Pubchem Sid: 528753309
• 정식 스마일: CC(C1=CC(=C(C=C1)Cl)Cl)N
• IUPAC Name: (1S)-1-(3,4-dichlorophenyl)ethanamine
• InChIKey: UJUFOUVXOUYYRG-YFKPBYRVSA-N
• INCHI: 1S/C8H9Cl2N/c1-5(11)6-2-3-7(9)8(10)4-6/h2-5H,11H2,1H3/t5-/m0/s1
• 이성체 SMILES: C[C@@H](C1=CC(=C(C=C1)Cl)Cl)N
• 분자량: 190.07
• Reaxy-Rn: 2413761
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2413761&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Benzene and substituted derivatives
      • Subclass Halobenzenes
        • Level5 Chlorobenzenes
          • Level6 Dichlorobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Chlorobenzenes
• Direct Parent: Dichlorobenzenes
• Alternative Parents: Aralkylamines Aryl chlorides Organopnictogen compounds Organochlorides Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 1,2-dichlorobenzene - Aralkylamine - 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 dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it.
• 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

관련 대상(인간)

PNMT Tchem Phenylethanolamine N-methyltransferase (540 Activities)

Discover Target: PNMT

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

작용 메커니즘

화학 및 물리적 특성

• 분자량: 190.070 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 189.011 Da
• Monoisotopic Mass: 189.011 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 129.000
• 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