1,3-Dioctadecylurea - ≥97% , CAS No.4051-66-5

CAS: 4051-66-5 Cat. No.: D469182 분자식: CH₃(CH₂)₁₇NHCONH(CH₂)₁₇CH₃ 분자량: 565.01 EC 번호: 827-390-2

GRADE & PURITY ≥97%

Synonyms

167726JT6B | N,N'-Dioctadecylurea | J1.432.681B | AKOS015913409 | HACKREEN SS | N,N'-Dioctadecylcarbamimidic acid | distearylurea | dioctadecylurea

Storage

Room temperature

Shipped In

Normal

Specifications

동의어

167726JT6B | N,N'-Dioctadecylurea | J1.432.681B | AKOS015913409 | HACKREEN SS | N,N'-Dioctadecylcarbamimidic acid | distearylurea | dioctadecylurea

사양 및 순도

≥97%

보관 조건

Room temperature

배송

Normal

순수함

≥97%

이름과 식별자

Pubchem Sid

528753775

정식 스마일

CCCCCCCCCCCCCCCCCCNC(=O)NCCCCCCCCCCCCCCCCCC

IUPAC Name

1,3-dioctadecylurea

InChIKey

AOZVWUCYHOWWPH-UHFFFAOYSA-N

INCHI

1S/C37H76N2O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-37(40)39-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3,(H2,38,39,40)

이성체 SMILES

CCCCCCCCCCCCCCCCCCNC(=O)NCCCCCCCCCCCCCCCCCC

WGK 독일

3

분자량

565.01

Reaxy-Rn

1808620

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1808620&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 분류 Organic carbonic acids and derivatives
      • Subclass Ureas

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 분류: Organic carbonic acids and derivatives
• Subclass: Ureas
• Intermediate Tree Nodes: Not available
• Direct Parent: Ureas
• Alternative Parents: Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Urea - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as ureas. These are compounds containing two amine groups joined by a carbonyl (C=O) functional group.
• 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

• 녹는점(°C): 110-112 °C (lit.)
• 분자량: 565.000 g/mol
• XLogP3: 17.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 34
• Exact Mass: 564.596 Da
• Monoisotopic Mass: 564.596 Da
• Topological Polar Surface Area: 41.100 Ų
• Heavy Atom Count: 40
• Formal Charge: 0
• Complexity: 427.000
• 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