4-(Thiomorpholine-4-carbonyl)cyclohexan-1-amine - ≥98% , CAS No.1183736-33-5

CAS: 1183736-33-5 Cat. No.: T1231190 분자식: C₁₁H₂₀N₂OS 분자량: 228.35 EC 번호: 978-782-6 PubChem CID: 47003192

GRADE & PURITY ≥98%

Storage

Room temperature

Shipped In

Normal

Specifications

사양 및 순도

≥98%

보관 조건

Room temperature

배송

Normal

순수함

≥98%

이름과 식별자

정식 스마일

C1CC(CCC1C(=O)N2CCSCC2)N

IUPAC Name

(4-aminocyclohexyl)-thiomorpholin-4-ylmethanone

InChIKey

RSHLHEJTFQCQEN-UHFFFAOYSA-N

INCHI

1S/C11H20N2OS/c12-10-3-1-9(2-4-10)11(14)13-5-7-15-8-6-13/h9-10H,1-8,12H2

PubChem CID

47003192

분자량

228.35

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 분류 Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Delta amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 분류: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives
• Direct Parent: Delta amino acids and derivatives
• Alternative Parents: Cyclohexylamines Thiomorpholines Tertiary carboxylic acid amides Tertiary amines Dialkylthioethers Azacyclic compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Delta amino acid or derivatives - Cyclohexylamine - 1,4-thiazinane - Tertiary carboxylic acid amide - Carboxamide group - Tertiary amine - Dialkylthioether - Thioether - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Organic oxide - Amine - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Aliphatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as delta amino acids and derivatives. These are compounds containing a carboxylic acid group and an amino group at the C5 carbon atom.
• 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

• 분자량: 228.360 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 228.13 Da
• Monoisotopic Mass: 228.13 Da
• Topological Polar Surface Area: 71.600 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 221.000
• 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