Acetaldehyde ammonia trimer - ≥97% , CAS No.58052-80-5

CAS: 58052-80-5 Cat. No.: A106245 분자식: C₆H₁₅N₃·3H₂O 분자량: 183.25 Beilstein Registry Number: 3910586 EC 번호: 676-562-1

GRADE & PURITY ≥97%

Synonyms

Hexahydro-2,4,6-trimethyl-1,3,5-triazine trihydrate | Acetaldehyde-ammonia trimer trihydrate | 2,4,6-trimethylhexa-hydro-1,3,5-triazin-trihydrat | FT-0621722 | 2,4,6-trimethyl-1,3,5-triazinane;trihydrate | Acetaldehyde ammonia trimer | 1,3,5-Triazine,hexa

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

개요

Acetaldehyde ammonia trimer is a reagent used in the synthesis of amines by hydrogenation and as a precursor to the production of ammonia. It can also be used as an organic building block in the synthesis of 1,2-dihydro-1,3-dimethyl-3H-naphth[1.2-e]-m-oxazine by condensing with 2-naphthol.

Specifications

동의어

Hexahydro-2,4,6-trimethyl-1,3,5-triazine trihydrate | Acetaldehyde-ammonia trimer trihydrate | 2,4,6-trimethylhexa-hydro-1,3,5-triazin-trihydrat | FT-0621722 | 2,4,6-trimethyl-1,3,5-triazinane;trihydrate | Acetaldehyde ammonia trimer | 1,3,5-Triazine,hexa

사양 및 순도

≥97%

보관 조건

Store at 2-8°C,Protected from light,Argon charged

배송

Wet ice

이 제품은 콜드 체인 배송이 필요합니다.지상 및 기타 경제 서비스는 사용할 수 없습니다.

순수함

≥97%

이름과 식별자

Pubchem Sid

504760815

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504760815

정식 스마일

CC1NC(NC(N1)C)C.O.O.O

IUPAC Name

2,4,6-trimethyl-1,3,5-triazinane;trihydrate

InChIKey

VNJBGAOFYNEMRG-UHFFFAOYSA-N

INCHI

1S/C6H15N3.3H2O/c1-4-7-5(2)9-6(3)8-4;;;/h4-9H,1-3H3;3*1H2

이성체 SMILES

CC1NC(NC(N1)C)C.O.O.O

WGK 독일

3

RTECS

AB1950000

UN 번호

1841

분자량

183.25

Beilstein

3910586

Reaxy-Rn

3910585

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3910585&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Triazinanes
      • Subclass 1,3,5-triazinanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Triazinanes
• Subclass: 1,3,5-triazinanes
• Intermediate Tree Nodes: Not available
• Direct Parent: 1,3,5-triazinanes
• Alternative Parents: Dialkylamines Azacyclic compounds Aminals Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: 1,3,5-triazinane - Azacycle - Secondary amine - Secondary aliphatic amine - Aminal - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Amine - Aliphatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as 1,3,5-triazinanes. These are triazinanes having three nitrogen ring atoms at the 1-, 3-, and 5- positions.
• 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

• 용해성: Soluble in water.
• 감도: heat,light,moisture and air sensitive
• 발화점(°F): 131℉
• 발화점(°C): 55°C
• 끓는점(°C): 110°C
• 녹는점(°C): 95-97°C
• 분자량: 183.250 g/mol
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 183.158 Da
• Monoisotopic Mass: 183.158 Da
• Topological Polar Surface Area: 39.100 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 63.300
• 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: 4

XLogP3