Morpholine - CP, ≥98% , CAS No.110-91-8

CAS: 110-91-8 Cat. No.: M109061 분자식: C₄H₉NO 분자량: 87.12 Beilstein Registry Number: 102549 EC 번호: 203-815-1

등급 & 순도 CP, ≥98%

Synonyms

C4H9NO | Drewamine | NCGC00256942-01 | J-522715 | 4-27-00-00015 (Beilstein Handbook Reference) | Diethyleneimide oxide | Tetrahydro-1,4-isoxazine | UNII-8B2ZCK305O | Tetrahydro-1, 4-isoxazine | TETRAHYDRO-2H-1, 4-OXAZINE | Tetrahydro-4H-1-4-oxazine | AI3-

Storage

Room temperature

Shipped In

FedEx DG Service

사양

동의어

C4H9NO | Drewamine | NCGC00256942-01 | J-522715 | 4-27-00-00015 (Beilstein Handbook Reference) | Diethyleneimide oxide | Tetrahydro-1,4-isoxazine | UNII-8B2ZCK305O | Tetrahydro-1, 4-isoxazine | TETRAHYDRO-2H-1, 4-OXAZINE | Tetrahydro-4H-1-4-oxazine | AI3-

사양 및 순도

CP, ≥98%

보관 조건

Room temperature

배송

FedEx DG Service

등급

CP

순수함

≥98%

이름과 식별자

Pubchem Sid

508812890

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508812890

정식 스마일

C1COCCN1

IUPAC Name

morpholine

InChIKey

YNAVUWVOSKDBBP-UHFFFAOYSA-N

INCHI

1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2

이성체 SMILES

C1COCCN1

WGK 독일

1

RTECS

QD6475000

UN 번호

2054

포장 그룹

I

분자량

87.12

Beilstein

102549

Reaxy-Rn

102549

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=102549&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Oxazinanes
      • Subclass Morpholines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Oxazinanes
• Subclass: Morpholines
• Intermediate Tree Nodes: Not available
• Direct Parent: Morpholines
• Alternative Parents: Oxacyclic compounds Dialkylamines Dialkyl ethers Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Morpholine - Oxacycle - Azacycle - Secondary amine - Ether - Secondary aliphatic amine - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Aliphatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as morpholines. These are organic compounds containing a morpholine moiety, which consists of a six-member aliphatic saturated ring with the formula C4H9NO, where the oxygen and nitrogen atoms lie at positions 1 and 4, respectively.
• External Descriptors: morpholines - saturated organic heteromonocyclic parent

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

관련 대상(인간)

CYP1B1 Tchem Cytochrome P450 1B1 (1148 Activities)

Discover Target: CYP1B1

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

CYP1A1 Tchem Cytochrome P450 1A1 (1169 Activities)

Discover Target: CYP1A1

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

작용 메커니즘

화학 및 물리적 특성

• 용해성: It is miscible with water and can be miscible with most organic solvents.
• 감도: Hygroscopic
• 굴절률: 1.4548
• 발화점(°F): 87.8 °F
• 발화점(°C): 35℃
• 끓는점(°C): 128.3°C
• 녹는점(°C): -4.76°C
• 분자량: 87.120 g/mol
• XLogP3: -0.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 87.0684 Da
• Monoisotopic Mass: 87.0684 Da
• Topological Polar Surface Area: 21.300 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 34.500
• 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