Terbumeton - analytical standard , CAS No.33693-04-8

CAS: 33693-04-8 Cat. No.: T115078 분자식: C₁₀H₁₉N₅O 분자량: 225.29 Beilstein Registry Number: 520400 EC 번호: 251-637-8 PubChem CID: 36584

GRADE & PURITY Analytical standard

Synonyms

TERBUMETON|33693-04-8|Caragard|Terbuthylon|Karagard|Terbutone|Tribunil G 14259|GS 14259|1,3,5-Triazine-2,4-diamine, N-(1,1-dimethylethyl)-N'-ethyl-6-methoxy-|s-Triazine, 2-(tert-butylamino)-4-(ethylamino)-6-methoxy-|A 2591|2-tert-Butylamino-4-ethylamino-6

Storage

Room temperature

Shipped In

Normal

Specifications

동의어

TERBUMETON | 33693-04-8 | Caragard | Terbuthylon | Karagard | Terbutone | Tribunil G 14259 | GS 14259 | 1,3,5-Triazine-2,4-diamine, N-(1,1-dimethylethyl)-N'-ethyl-6-methoxy- | s-Triazine, 2-(tert-butylamino)-4-(ethylamino)-6-methoxy- | A 2591 | 2-tert-Butylamino-4-ethylamino-6

사양 및 순도

analytical standard

보관 조건

Room temperature

배송

Normal

등급

분석 표준물질

이름과 식별자

Pubchem Sid

528773192

정식 스마일

CCNC1=NC(=NC(=N1)OC)NC(C)(C)C

IUPAC Name

2-N-tert-butyl-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine

InChIKey

BCQMBFHBDZVHKU-UHFFFAOYSA-N

INCHI

1S/C10H19N5O/c1-6-11-7-12-8(15-10(2,3)4)14-9(13-7)16-5/h6H2,1-5H3,(H2,11,12,13,14,15)

이성체 SMILES

CCNC1=NC(=NC(=N1)OC)NC(C)(C)C

WGK 독일

3

RTECS

XY5020000

PubChem CID

36584

UN 번호

3077

분자량

225.29

Beilstein

520400

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Triazines
      • Subclass Aminotriazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Triazines
• Subclass: Aminotriazines
• Intermediate Tree Nodes: Not available
• Direct Parent: 1,3,5-triazine-2,4-diamines
• Alternative Parents: 2-methoxy-1,3,5-triazines Secondary alkylarylamines N-aliphatic s-triazines Alkyl aryl ethers Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2,4-diamine-s-triazine - 2-methoxy-1,3,5-triazine - Alkoxy-s-triazine - Alkyl aryl ether - Secondary aliphatic/aromatic amine - N-aliphatic s-triazine - 1,3,5-triazine - Heteroaromatic compound - Ether - Secondary amine - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Amine - Aromatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as 1,3,5-triazine-2,4-diamines. These are aromatic compounds containing a 1,3,5-triazine ring which is 2,4-disusbtituted wit amine groups.
• External Descriptors: Triazine herbicides

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): 123-124°C
• 분자량: 225.290 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 225.159 Da
• Monoisotopic Mass: 225.159 Da
• Topological Polar Surface Area: 72.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 206.000
• 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