Acetoguanamina - ≥98% , CAS No.542-02-9

CAS: 542-02-9 Cat. No.: A106445 Formula: C₄H₇N₅ Peso molecolare: 125.13 Beilstein Registry Number: 118348 Numero EC: 208-796-3

QUALITÀ & PUREZZA ≥98%

Synonyms

D0583 | 2,4-Diamino-6-methyl-1,3,5-triazine | DTXCID909186 | NSC 257 | SCHEMBL36733 | NSC257 | NSC-257 | 6-Methyl-1,3,5-triazine-2,4-diamine # | DIAMINO-6-METHYL-1,3,5-TRIAZINE, 2,4- | NCGC00248942-01 | Acetoguanamine | Q4673271 | AX41T8ULB3 | 1,3,5-Triaz

Storage

Room temperature

Shipped In

Normale

Specifiche

Sinonimi

D0583 | 2,4-Diamino-6-methyl-1,3,5-triazine | DTXCID909186 | NSC 257 | SCHEMBL36733 | NSC257 | NSC-257 | 6-Methyl-1,3,5-triazine-2,4-diamine # | DIAMINO-6-METHYL-1,3,5-TRIAZINE, 2,4- | NCGC00248942-01 | Acetoguanamine | Q4673271 | AX41T8ULB3 | 1,3,5-Triaz

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normale

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

488181229

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181229

Sorrisi canonici

CC1=NC(=NC(=N1)N)N

IUPAC Name

6-methyl-1,3,5-triazine-2,4-diamine

InChIKey

NJYZCEFQAIUHSD-UHFFFAOYSA-N

INCHI

1S/C4H7N5/c1-2-7-3(5)9-4(6)8-2/h1H3,(H4,5,6,7,8,9)

Isomeri SMILES

CC1=NC(=NC(=N1)N)N

WGK Germania

2

Peso molecolare

125.13

Beilstein

118348

Reaxy-Rn

118348

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=118348&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Triazines
• Subclass: Aminotriazines
• Intermediate Tree Nodes: Not available
• Direct Parent: 1,3,5-triazine-2,4-diamines
• Alternative Parents: 1,3,5-triazines Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2,4-diamine-s-triazine - 1,3,5-triazine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound
• Descrizione: 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: diamino-1,3,5-triazine

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

Proprietà chimiche e fisiche

• Punto di fusione (°C): 274-276°C
• Peso molecolare: 125.130 g/mol
• XLogP3: -0.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 125.07 Da
• Monoisotopic Mass: 125.07 Da
• Topological Polar Surface Area: 90.700 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 85.000
• 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