Dmab-OH - ≥98% , CAS No.172611-73-3

CAS: 172611-73-3 Cat. No.: D333724 分子式: C₂₀H₂₇NO₃ 分子量: 329.43 PubChem CID: 135437121

GRADE & PURITY ≥98%

Synonyms

BCP24737 | SCHEMBL2035433 | AKOS024462388 | XGA61173 | J-010833 | 2-[1-[4-(hydroxymethyl)anilino]-3-methylbutylidene]-5,5-dimethylcyclohexane-1,3-dione | 1,3-Cyclohexanedione,2-[1-[[4-(hydroxymethyl)phenyl]amino]-3-methylbutylidene]-5,5-dimethyl- | 2-{1-[

Storage

Store at 2-8°C

Shipped In

Wet ice

概要

Dmab-OH reacts with carboxylic acids to give a Dmab ester protecting groups. Dmab protected carboxylic acids are stable to TFA and piperidine, but are easily deprotected by treatment with 2% hydrazine in DMF.

Specifications

同義語

BCP24737 | SCHEMBL2035433 | AKOS024462388 | XGA61173 | J-010833 | 2-[1-[4-(hydroxymethyl)anilino]-3-methylbutylidene]-5,5-dimethylcyclohexane-1,3-dione | 1,3-Cyclohexanedione,2-[1-[[4-(hydroxymethyl)phenyl]amino]-3-methylbutylidene]-5,5-dimethyl- | 2-{1-[

仕様と純度

≥98%

保管条件

Store at 2-8°C

入荷

Wet ice

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。

純度

≥98%

名前と識別子

• パブケム・シド: 504773315
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504773315
• カノニカル・スマイル: CC(C)CC(=NC1=CC=C(C=C1)CO)C2=C(CC(CC2=O)(C)C)O
• IUPAC Name: 3-hydroxy-2-[N-[4-(hydroxymethyl)phenyl]-C-(2-methylpropyl)carbonimidoyl]-5,5-dimethylcyclohex-2-en-1-one
• InChIKey: UKAQNIKHOWTQFY-UHFFFAOYSA-N
• INCHI: 1S/C20H27NO3/c1-13(2)9-16(21-15-7-5-14(12-22)6-8-15)19-17(23)10-20(3,4)11-18(19)24/h5-8,13,22-23H,9-12H2,1-4H3
• 異性体SMILES: CC(C)CC(=NC1=CC=C(C=C1)CO)C2=C(CC(CC2=O)(C)C)O
• PubChem CID: 135437121
• 分子量: 329.43

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Benzyl alcohols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Benzyl alcohols
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzyl alcohols
• Alternative Parents: Cyclohexenones Vinylogous acids Secondary ketimines Azomethines Propargyl-type 1,3-dipolar organic compounds Enols Primary alcohols Organopnictogen compounds Organic oxides Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzyl alcohol - Cyclohexenone - Vinylogous acid - Secondary ketimine - Azomethine - Cyclic ketone - Ketone - Ketimine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Enol - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aromatic alcohol - Primary alcohol - Organooxygen compound - Organonitrogen compound - Imine - Carbonyl group - Alcohol - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as benzyl alcohols. These are organic compounds containing the phenylmethanol substructure.
• 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

化学的性質と物理的性質

• 分子量: 329.400 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 329.199 Da
• Monoisotopic Mass: 329.199 Da
• Topological Polar Surface Area: 69.900 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 523.000
• 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