4-(Morpholinomethyl)aniline - ≥97% , CAS No.51013-67-3

CAS: 51013-67-3 Cat. No.: M193652 Summenformel: C₁₁H₁₆N₂O Molekulargewicht: 192.26 EG-Nummer: 968-058-8

QUALITÄT & REINHEIT ≥97%

Synonyms

(4-morpholin-4-ylmethyl-phenyl)-amine | BCP15062 | BP-10784 | CCG-202971 | 4-(4-Morpholinylmethyl)benzenamine | AKOS000103834 | 4-(morpholin-4-ylmethyl)-phenylamine | WNYFVEFUHMDIRQ-UHFFFAOYSA-N | 4-[(morpholin-4-yl)methyl]aniline | AB15698 | SY013373 | A

Storage

Room temperature

Shipped In

Normal

Spezifikationen

Synonyme

(4-morpholin-4-ylmethyl-phenyl)-amine | BCP15062 | BP-10784 | CCG-202971 | 4-(4-Morpholinylmethyl)benzenamine | AKOS000103834 | 4-(morpholin-4-ylmethyl)-phenylamine | WNYFVEFUHMDIRQ-UHFFFAOYSA-N | 4-[(morpholin-4-yl)methyl]aniline | AB15698 | SY013373 | A

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

504760139

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504760139

Kanonisches Lächeln

C1COCCN1CC2=CC=C(C=C2)N

IUPAC Name

4-(morpholin-4-ylmethyl)aniline

InChIKey

WNYFVEFUHMDIRQ-UHFFFAOYSA-N

INCHI

1S/C11H16N2O/c12-11-3-1-10(2-4-11)9-13-5-7-14-8-6-13/h1-4H,5-9,12H2

Isomere SMILES

C1COCCN1CC2=CC=C(C=C2)N

Molekulargewicht

192.26

Reaxy-Rn

156535

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=156535&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Phenylmethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylmethylamines
• Alternative Parents: Benzylamines Aniline and substituted anilines Aralkylamines Morpholines Trialkylamines Oxacyclic compounds Dialkyl ethers Azacyclic compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzylamine - Phenylmethylamine - Aniline or substituted anilines - Aralkylamine - Morpholine - Oxazinane - Tertiary amine - Tertiary aliphatic amine - Organoheterocyclic compound - Ether - Dialkyl ether - Oxacycle - Azacycle - Amine - Primary amine - Hydrocarbon derivative - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as phenylmethylamines. These are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine.
• 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

Zugehörige Ziele (menschlich)

APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

Discover Target: APEX1

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

Zugehörige Ziele (nicht menschlich)

Plasmodium falciparum (966862 Activities)

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 192.260 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 192.126 Da
• Monoisotopic Mass: 192.126 Da
• Topological Polar Surface Area: 38.500 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 161.000
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 51013-67-3, the molecular formula is C11H16N2O, and the molecular weight is 192.26 g/mol. InChIKey WNYFVEFUHMDIRQ-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.