4-Butylaniline - ≥97% , CAS No.104-13-2

CAS: 104-13-2 Cat. No.: B100731 분자식: CH₃(CH₂)₃C₆H₄NH₂ 분자량: 149.23 Beilstein Registry Number: 12(1)503 EC 번호: 203-177-4

GRADE & PURITY ≥97%

Synonyms

4-Butylbenzenamine | Aniline, p-butyl- | DTXSID8021856 | SCHEMBL111607 | 4-n-Butylaniline | 4-n-butyl-aniline | 4-n-butyl aniline | AKOS000119870 | 4-Butylaniline, 97% | MFCD00007925 | p-Butylaniline | 4-n-butyl benzenamine | Benzenamine, 4-butyl- | BRN 1

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

동의어

4-Butylbenzenamine | Aniline, p-butyl- | DTXSID8021856 | SCHEMBL111607 | 4-n-Butylaniline | 4-n-butyl-aniline | 4-n-butyl aniline | AKOS000119870 | 4-Butylaniline, 97% | MFCD00007925 | p-Butylaniline | 4-n-butyl benzenamine | Benzenamine, 4-butyl- | BRN 1

사양 및 순도

≥97%

생화학 및 생리적 메커니즘

4-Butylaniline is a mammalian retinoid cycle inhibitor that reversibly suppresses the recovery of the outward R(2) component of ERC (early receptor current) from Vitamin A and 11-cis-retinal-loaded cells.

보관 조건

Room temperature,Argon charged

배송

Normal

순수함

≥97%

이름과 식별자

• Pubchem Sid: 488180529
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180529
• 정식 스마일: CCCCC1=CC=C(C=C1)N
• IUPAC Name: 4-butylaniline
• InChIKey: OGIQUQKNJJTLSZ-UHFFFAOYSA-N
• INCHI: 1S/C10H15N/c1-2-3-4-9-5-7-10(11)8-6-9/h5-8H,2-4,11H2,1H3
• 이성체 SMILES: CCCCC1=CC=C(C=C1)N
• WGK 독일: 3
• RTECS: BW9470000
• UN 번호: 2810
• 분자량: 149.23
• Beilstein: 12(1)503
• Reaxy-Rn: 1447268
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1447268&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Aniline and substituted anilines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aniline and substituted anilines
• Alternative Parents: Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aniline or substituted anilines - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene 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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Soluble in water
• 감도: Air sensitive
• 굴절률: 1.535
• 발화점(°F): 215.6 °F
• 발화점(°C): 102 °C
• 끓는점(°C): 133-134°C/14mmHg
• 분자량: 149.230 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 149.12 Da
• Monoisotopic Mass: 149.12 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 93.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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

참고 문헌

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