4-Isobutylaniline - ≥97% , CAS No.30090-17-6

CAS: 30090-17-6 Cat. No.: I588636 Summenformel: C₁₀H₁₅N Molekulargewicht: 149.23 EG-Nummer: ‘250-039-4

GRADE & PURITY ≥97%

Synonyms

4-Isobutylaniline | p-isobutylaniline | UNII-4D8THO7JU7 | SCHEMBL2406779 | AKOS000143433 | EN300-106283 | SY035752 | MFCD00130035 | JSHQATXVCGCYJQ-UHFFFAOYSA-N | 4-Isobutylanilin | DTXSID40184176 | 4-(2-METHYLPROPYL)BENZENAMINE | 4D8THO7JU7 | AM9797 | FT-

Storage

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

Shipped In

Wet ice

Specifications

Synonyme

4-Isobutylaniline | p-isobutylaniline | UNII-4D8THO7JU7 | SCHEMBL2406779 | AKOS000143433 | EN300-106283 | SY035752 | MFCD00130035 | JSHQATXVCGCYJQ-UHFFFAOYSA-N | 4-Isobutylanilin | DTXSID40184176 | 4-(2-METHYLPROPYL)BENZENAMINE | 4D8THO7JU7 | AM9797 | FT-

Spezifikationen & Reinheit

≥97%

Storage

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

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥97%

Namen und Kennungen

Kanonisches Lächeln

CC(C)CC1=CC=C(C=C1)N

IUPAC Name

4-(2-methylpropyl)aniline

InChIKey

JSHQATXVCGCYJQ-UHFFFAOYSA-N

INCHI

1S/C10H15N/c1-8(2)7-9-3-5-10(11)6-4-9/h3-6,8H,7,11H2,1-2H3

Isomere SMILES

CC(C)CC1=CC=C(C=C1)N

Molekulargewicht

149.23

Reaxy-Rn

2082530

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2082530&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Phenylpropanes

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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 149.230 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• 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: 101.000
• 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