Terpin Monohydrate - 10mM in DMSO , CAS No.2451-01-6

CAS: 2451-01-6 Cat. No.: T422833 分子式: C₁₀H₂₀O₂·H₂O 分子量: 192.29 Beilstein Registry Number: 6(4)5255 EC番号: 607-392-8 PubChem CID: 17141

GRADE & PURITY 10mM in DMSO

Synonyms

SCHEMBL29867 | 4-(2-Hydroxypropan-2-yl)-1-methyl-Cyclohexan-1-Ol | CYCLOHEXANEMETHANOL, 4-HYDROXY-.ALPHA.,.ALPHA.,4-TRIMETHYL-, HYDRATE (1:1), CIS- | TERPIN HYDRATE [WHO-DD] | Terpin monohydrate;cis-Terpin hydrate | SR-01000944230-1 | EN300-8109909 | 4-(2

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

概要

Used in screening of essential oil from Artemisia scoparia leaves for free radical scavenging activity.

Specifications

同義語

SCHEMBL29867 | 4-(2-Hydroxypropan-2-yl)-1-methyl-Cyclohexan-1-Ol | CYCLOHEXANEMETHANOL, 4-HYDROXY-.ALPHA.,.ALPHA.,4-TRIMETHYL-, HYDRATE (1:1), CIS- | TERPIN HYDRATE [WHO-DD] | Terpin monohydrate;cis-Terpin hydrate | SR-01000944230-1 | EN300-8109909 | 4-(2

仕様と純度

10mM in DMSO

保管条件

Store at -80°C

入荷

Dry ice packs + Cold packs

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。

名前と識別子

パブケム・シド

528775542

カノニカル・スマイル

CC1(CCC(CC1)C(C)(C)O)O.O

IUPAC Name

4-(2-hydroxypropan-2-yl)-1-methylcyclohexan-1-ol;hydrate

InChIKey

JGKJMBOJWVAMIJ-UHFFFAOYSA-N

INCHI

1S/C10H20O2.H2O/c1-9(2,11)8-4-6-10(3,12)7-5-8;/h8,11-12H,4-7H2,1-3H3;1H2

異性体SMILES

CC1(CCC(CC1)C(C)(C)O)O.O

PubChem CID

17141

分子量

192.29

Beilstein

6(4)5255

Reaxy-Rn

3684464

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • 分類 Prenol lipids
      • Subclass Monoterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 分類: Prenol lipids
• Subclass: Monoterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Menthane monoterpenoids
• Alternative Parents: Monocyclic monoterpenoids Cyclohexanols Tertiary alcohols Cyclic alcohols and derivatives Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: P-menthane monoterpenoid - Monocyclic monoterpenoid - Cyclohexanol - Tertiary alcohol - Cyclic alcohol - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aliphatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as menthane monoterpenoids. These are monoterpenoids with a structure based on the o-, m-, or p-menthane backbone. P-menthane consists of the cyclohexane ring with a methyl group and a (2-methyl)-propyl group at the 1 and 4 ring position, respectively. The o- and m- menthanes are much rarer, and presumably arise by alkyl migration of p-menthanes.
• 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

作用メカニズム

化学的性質と物理的性質

• 融点（°C）: 119 °C
• 分子量: 190.280 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 190.157 Da
• Monoisotopic Mass: 190.157 Da
• Topological Polar Surface Area: 41.500 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 155.000
• 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: 2

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