(1R,2R)-2-(Benzyloxy)cyclohexanamine - ≥97% , CAS No.216394-06-8

CAS: 216394-06-8 Cat. No.: I168627 분자식: C₁₃H₁₉NO 분자량: 205.3 EC 번호: 606-810-6

GRADE & PURITY ≥97%

Synonyms

(1R,2R)-(-)-2-Benzyloxycyclohexylamine | AM62759 | (1R,2R)-(-)-2-Benzyloxycyclohexylamine;(1R,2R)-2-(Benzyloxy)cyclohexanamine | DTXSID70474517 | (1R,2R)-2-(benzyloxy)cyclohexan-1-amine | 1-(1H-tetrazol-5-yl)methylamine | (1R)-trans-2-(Phenylmethoxy)cyclo

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

동의어

(1R,2R)-(-)-2-Benzyloxycyclohexylamine | AM62759 | (1R,2R)-(-)-2-Benzyloxycyclohexylamine;(1R,2R)-2-(Benzyloxy)cyclohexanamine | DTXSID70474517 | (1R,2R)-2-(benzyloxy)cyclohexan-1-amine | 1-(1H-tetrazol-5-yl)methylamine | (1R)-trans-2-(Phenylmethoxy)cyclo

사양 및 순도

≥97%

보관 조건

Store at 2-8°C,Protected from light,Argon charged

배송

Wet ice

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순수함

≥97%

이름과 식별자

• Pubchem Sid: 528752797
• 정식 스마일: C1CCC(C(C1)N)OCC2=CC=CC=C2
• IUPAC Name: (1R,2R)-2-phenylmethoxycyclohexan-1-amine
• InChIKey: NTHNRYLIXJZHRZ-CHWSQXEVSA-N
• INCHI: 1S/C13H19NO/c14-12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11/h1-3,6-7,12-13H,4-5,8-10,14H2/t12-,13-/m1/s1
• 이성체 SMILES: C1CC[C@H]([C@@H](C1)N)OCC2=CC=CC=C2
• WGK 독일: 3
• 분자량: 205.3
• Reaxy-Rn: 10086699
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10086699&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Benzene and substituted derivatives
      • Subclass Benzylethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Benzylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzylethers
• Alternative Parents: Cyclohexylamines Dialkyl ethers Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzylether - Cyclohexylamine - Ether - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Amine - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as benzylethers. These are aromatic ethers with the general formula ROCR' (R = alkyl, aryl; R'=benzene).
• 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

• 감도: Light sensitive
• 분자량: 205.300 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 205.147 Da
• Monoisotopic Mass: 205.147 Da
• Topological Polar Surface Area: 35.300 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 177.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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