p-Toluidine - AR, ≥99% , CAS No.106-49-0

CAS: 106-49-0 Cat. No.: T108450 Fórmula: C₇H₉N Peso molecular: 107.15 Beilstein Registry Number: 471281 Número CE: 203-403-1 PubChem CID: 7813

GRAU & PUREZA AR, ≥99%

Synonyms

PT|p-Toluidin [Czech]|AMINOBENZOIC ACID IMPURITY D [EP IMPURITY]|p-Aminotoluene|P-TOLUIDINE [MI]|4-Toluidine|p-Methylaniline|C.I. Azoic Coupling Component 107|p-Toluidine|p-Tolylamine|p-tolyl-amine|p-Toluidine, liquid or solid|Toluidine, p-|Naphtol AS-KG|1-Amino-4-methylbenzene|4-methylphenylamine|4-methyl-phenylamine|4-Aminotoluen [Czech]|p-Toluidine, liquid or solid [UN1708] [Poison]|p-Toluidyna [Polish]|4-Amino-1-methylbenzene|CI Azoic Coupling Component 107|paratoluidine|para-toluidine|P-TOLUIDINE [USP IMPURITY]|AZOIC COUPLING COMPONENT 107|4-METHYLBENZAMINE|4-tolylamine|Naphtol AS-KGLL|4-methyl aniline|P-Toluidine/4-Aminotoluene|4methylaniline|4-Methylaniline|4-methyl-aniline|p-Methylbenzenamine|p-Toluidin|4-Methylbenzenamine|RCRA waste number U353|4-Aminotoluen|Aniline, p-methyl-|RCRA waste no. U353|4-AMINOTOLUENE|4-amino-toluene|P-TOLUIDINE [USP-RS]

Storage

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

Shipped In

Wet ice,FedEx DG Service

Visão geral

p-Toluidine is an aromatic amine. It can be detected in the water samples by homogeneous liquid-liquid extraction followed by ion mobility spectrometry (HLLE-IMS).

Especificações

Sinónimos

PT | p-Toluidin [Czech] | AMINOBENZOIC ACID IMPURITY D [EP IMPURITY] | p-Aminotoluene | P-TOLUIDINE [MI] | 4-Toluidine | p-Methylaniline | C.I. Azoic Coupling Component 107 | p-Toluidine | p-Tolylamine | p-tolyl-amine | p-Toluidine, liquid or solid | Toluidine, p- | Naphtol AS-KG | 1-Amino-4-methylbenzene | 4-methylphenylamine | 4-methyl- Show more

Especificações e pureza

AR, ≥99%

Condições de armazenamento de armazenamento

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

Enviado em

Wet ice,FedEx DG Service

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Grau

AR

Pureza

≥99%

Nomes e identificadores

Pubchem Sid

488180575

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488180575

Sorrisos canónicos

CC1=CC=C(C=C1)N

IUPAC Name

4-methylaniline

InChIKey

RZXMPPFPUUCRFN-UHFFFAOYSA-N

INCHI

1S/C7H9N/c1-6-2-4-7(8)5-3-6/h2-5H,8H2,1H3

SMILES isoméricas

CC1=CC=C(C=C1)N

WGK Alemanha

2

RTECS

XU3150000

PubChem CID

7813

Número UN

3451

Grupo de embalagem

II

Peso molecular

107.15

Beilstein

471281

Reaxy-Rn

471281

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Toluenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Toluenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminotoluenes
• Alternative Parents: Aniline and substituted anilines Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminotoluene - Aniline or substituted anilines - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as aminotoluenes. These are organic aromatic compounds containing a benzene that carries a single methyl group and one amino group.
• External Descriptors: a cation

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

Alvos associados (humanos)

ACHE Tclin Acetylcholinesterase (1 Activities)

Discover Target: ACHE

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

ACHE Tclin Acetylcholinesterase (18204 Activities)

Discover Target: ACHE

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

ALB Tchem Serum albumin (2651 Activities)

Discover Target: ALB

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

Alvos associados (não humanos)

Colon (26 Activities)

Explore this target

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Soluble in ethanol, pyridine, diethyl ether, acetone, carbon tetrachloride, methanol, carbon disulfide, oils and dilute acids.
• Sensibilidade: Heat,Light & Air Sensitive
• Índice de refração: 1.5532
• Ponto de inflamação (°F): 188.6 °F
• Ponto de inflamação (°C): 87 °C
• Ponto de ebulição (°C): 200～201°C
• Ponto de fusão (°C): 41-46°C
• Peso molecular: 107.150 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 107.073 Da
• Monoisotopic Mass: 107.073 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 62.800
• 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