2-Benzylmorpholine - ≥95% , CAS No.87955-28-0

CAS: 87955-28-0 Cat. No.: B590492 分子式: C₁₁H₁₅NO 分子量: 177.24 EC番号: 815-363-8

グレード＆純度 ≥95%

Synonyms

SCHEMBL659743 | SB39319 | Z1198184698 | (-)-2-Benzylmorpholine | SB44552 | VU0494908-1 | AKOS006330971 | XMB68718 | BS-49764 | F2189-0638 | Morpholine, 2-(phenylmethyl)-, (-)- | EN300-126612 | MFCD09055007 | 2-Benzylmorpholine | 2-BENZYL-MORPHOLINE | YZFC

Storage

Store at 2-8°C,Protected from light,Desiccated

Shipped In

Wet ice

仕様

同義語

SCHEMBL659743 | SB39319 | Z1198184698 | (-)-2-Benzylmorpholine | SB44552 | VU0494908-1 | AKOS006330971 | XMB68718 | BS-49764 | F2189-0638 | Morpholine, 2-(phenylmethyl)-, (-)- | EN300-126612 | MFCD09055007 | 2-Benzylmorpholine | 2-BENZYL-MORPHOLINE | YZFC

仕様と純度

≥95%

保管条件

Store at 2-8°C,Protected from light,Desiccated

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥95%

名前と識別子

パブケム・シド

508808538

カノニカル・スマイル

C1COC(CN1)CC2=CC=CC=C2

IUPAC Name

2-benzylmorpholine

InChIKey

YZFCMGWCEXUGFX-UHFFFAOYSA-N

INCHI

1S/C11H15NO/c1-2-4-10(5-3-1)8-11-9-12-6-7-13-11/h1-5,11-12H,6-9H2

異性体SMILES

C1COC(CN1)CC2=CC=CC=C2

分子量

177.24

Reaxy-Rn

4293078

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4293078&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • 分類 Organonitrogen compounds
      • Subclass Amines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• 分類: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aralkylamines
• Alternative Parents: Morpholines Benzene and substituted derivatives Oxacyclic compounds Dialkylamines Dialkyl ethers Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aralkylamine - Benzenoid - Oxazinane - Morpholine - Monocyclic benzene moiety - Oxacycle - Azacycle - Organoheterocyclic compound - Secondary amine - Ether - Secondary aliphatic amine - Dialkyl ether - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as aralkylamines. These are alkylamines in which the alkyl group is substituted at one carbon atom by an aromatic hydrocarbyl 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

化学的性質と物理的性質

• 分子量: 177.240 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 177.115 Da
• Monoisotopic Mass: 177.115 Da
• Topological Polar Surface Area: 21.300 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 143.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1