N-Butylaniline - ≥98%(GC) , CAS No.1126-78-9

CAS: 1126-78-9 Cat. No.: B140175 분자식: C₁₀H₁₅N 분자량: 149.23 Beilstein Registry Number: 12(3)267 EC 번호: 214-425-6

GRADE & PURITY ≥98%(GC)

Synonyms

B0711 | ?N-Phenyl-n-butylamine | BAA12678 | n-Butyl-N-phenylamine | n-Butyl-N-phenylamine # | butylaniline | UNII-R2ZNJ7L2UM | WLN: 4MR | Benzenamine, N-butyl- | NSC7114 | NSC-7114 | EINECS 214-425-6 | UN2738 | UN-2738 | n-Butyl aniline | Benzamine, N-but

Storage

Room temperature,Argon charged

Shipped In

FedEx DG Service

Specifications

동의어

B0711 | ?N-Phenyl-n-butylamine | BAA12678 | n-Butyl-N-phenylamine | n-Butyl-N-phenylamine # | butylaniline | UNII-R2ZNJ7L2UM | WLN: 4MR | Benzenamine, N-butyl- | NSC7114 | NSC-7114 | EINECS 214-425-6 | UN2738 | UN-2738 | n-Butyl aniline | Benzamine, N-but

사양 및 순도

≥98%(GC)

보관 조건

Room temperature,Argon charged

배송

FedEx DG Service

순수함

≥98%(GC)

이름과 식별자

Pubchem Sid

488181973

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181973

정식 스마일

CCCCNC1=CC=CC=C1

IUPAC Name

N-butylaniline

InChIKey

VSHTWPWTCXQLQN-UHFFFAOYSA-N

INCHI

1S/C10H15N/c1-2-3-9-11-10-7-5-4-6-8-10/h4-8,11H,2-3,9H2,1H3

이성체 SMILES

CCCCNC1=CC=CC=C1

WGK 독일

3

RTECS

BW9450000

UN 번호

2738

포장 그룹

II

분자량

149.23

Beilstein

12(3)267

Reaxy-Rn

2206226

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2206226&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • 분류 Organonitrogen compounds
      • Subclass Amines
        • Level5 Aralkylamines
          • Level6 Phenylalkylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• 분류: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Aralkylamines
• Direct Parent: Phenylalkylamines
• Alternative Parents: Aniline and substituted anilines Secondary alkylarylamines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylalkylamine - Aniline or substituted anilines - Secondary aliphatic/aromatic amine - Benzenoid - Monocyclic benzene moiety - Secondary amine - Organopnictogen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as phenylalkylamines. These are organic amines where the amine group is secondary and linked on one end to a phenyl group and on the other end, to an alkyl group.
• 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

• 용해성: Insoluble in water; Soluble in Alcohol,Benzene,Ether
• 감도: Air Sensitive
• 굴절률: 1.5320-1.5350
• 발화점(°F): 222.8 °F
• 발화점(°C): 106 °C
• 끓는점(°C): 240°C
• 녹는점(°C): -14.4°C
• 분자량: 149.230 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 149.12 Da
• Monoisotopic Mass: 149.12 Da
• Topological Polar Surface Area: 12.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 84.900
• 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