N-시클로헥실하이드록실아민 , CAS No.2211-64-5

CAS: 2211-64-5 Cat. No.: I168702 분자식: C₆H₁₁NHOH 분자량: 115.17 EC 번호: 218-650-0

Synonyms

4-15-00-00003 (Beilstein Handbook Reference) | SCHEMBL243510 | BRN 0605426 | EINECS 218-650-0 | Cyclohexanamine, N-hydroxy- | N-Hydroxycyclohexylamine | Q27266009 | MFCD00021287 | 722GHL96BJ | AKOS016000592 | Hydroxylamine, N-cyclohexyl- | EN300-1723885 |

Storage

20°C에서 보관

Shipped In

아이스 박스 + 아이스 패드

개요

- 알데히드 촉매 분자간 하이드로아미네이션 - 축합 반응 - 항암제로서의 잠재적 사용을 위한 다수의 사이클린 의존성 키나제에 선택적인 사이클린 의존성 키나제 억제제 제조 - 저분자 브라디키닌 B1 수용체 길항제로서의 하이드록시우레아 유도체 제조

Specifications

동의어

4-15-00-00003 (Beilstein Handbook Reference) | SCHEMBL243510 | BRN 0605426 | EINECS 218-650-0 | Cyclohexanamine, N-hydroxy- | N-Hydroxycyclohexylamine | Q27266009 | MFCD00021287 | 722GHL96BJ | AKOS016000592 | Hydroxylamine, N-cyclohexyl- | EN300-1723885 |

보관 조건

20°C에서 보관

배송

아이스 박스 + 아이스 패드

이름과 식별자

Pubchem Sid

528766100

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528766100

정식 스마일

C1CCC(CC1)NO

IUPAC Name

N-cyclohexylhydroxylamine

InChIKey

GUQRKZPMVLRXLT-UHFFFAOYSA-N

INCHI

1S/C6H13NO/c8-7-6-4-2-1-3-5-6/h6-8H,1-5H2

이성체 SMILES

C1CCC(CC1)NO

WGK 독일

2

RTECS

NC3410400

분자량

115.17

Reaxy-Rn

605426

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=605426&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • 분류 Organonitrogen compounds
      • Subclass N-organohydroxylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• 분류: Organonitrogen compounds
• Subclass: N-organohydroxylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: N-organohydroxylamines
• Alternative Parents: Organopnictogen compounds Organic oxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: N-organohydroxylamine - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Aliphatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as n-organohydroxylamines. These are organic compounds comprising the hydroxylamine functional group, with the general structure R1ON(R2)R3 (R1,R3=H, organyl; R2 = organyl).
• 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

화학 및 물리적 특성

• 녹는점(°C): 139-140℃
• 분자량: 115.170 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 115.1 Da
• Monoisotopic Mass: 115.1 Da
• Topological Polar Surface Area: 32.299 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 59.500
• 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