3-(Morpholinomethyl)aniline - ≥97% , CAS No.123207-48-7

CAS: 123207-48-7 Cat. No.: M172765 Formula: C₁₁H₁₆N₂O Peso molecolare: 192.26 Numero EC: 800-978-6

GRADE & PURITY ≥97%

Synonyms

3-(morpholin-4-ylmethyl)aniline | BB 0254855 | STK301783 | AS-30554 | FT-0642999 | Oprea1_370020 | 3-(4-Morpholinylmethyl)benzenamine | 3-(morpholin-4-ylmethyl)phenylamine | 3-[(morpholin-4-yl)methyl]aniline | EN300-52582 | IHHKTIKNEDOMIK-UHFFFAOYSA-N | A

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Sinonimi

3-(morpholin-4-ylmethyl)aniline | BB 0254855 | STK301783 | AS-30554 | FT-0642999 | Oprea1_370020 | 3-(4-Morpholinylmethyl)benzenamine | 3-(morpholin-4-ylmethyl)phenylamine | 3-[(morpholin-4-yl)methyl]aniline | EN300-52582 | IHHKTIKNEDOMIK-UHFFFAOYSA-N | A

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Protected from light

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥97%

Nomi e identificatori

Pubchem Sid

528758150

Sorrisi canonici

C1COCCN1CC2=CC(=CC=C2)N

IUPAC Name

3-(morpholin-4-ylmethyl)aniline

InChIKey

IHHKTIKNEDOMIK-UHFFFAOYSA-N

INCHI

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

Isomeri SMILES

C1COCCN1CC2=CC(=CC=C2)N

Peso molecolare

192.26

Reaxy-Rn

3544217

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3544217&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Sensibilità: Light sensitive
• Peso molecolare: 192.260 g/mol
• XLogP3: 0.300
• 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: 169.000
• 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