헵탄-d₁₆ - ≥99 원자% D , CAS No.33838-52-7

CAS: 33838-52-7 Cat. No.: H118382 분자식: CD₃(CD₂)₅CD₃ 분자량: 116.3 EC 번호: 680-746-7

등급 & 순도 ≥99 atom% D

Synonyms

Heptane-d16, 99 atom % D | MFCD00062744 | Q13640579 | IMNFDUFMRHMDMM-NEBSKJCTSA-N | Heptane-d16 | hexadecadeuterio-heptane | n-Heptane-d{16} | n-heptane-d16 | 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-hexadecadeuterioheptane | DTXSID40335328 | J-019336 | D98362

Storage

Argon charged,Room temperature

Shipped In

보통

사양

동의어

Heptane-d16, 99 atom % D | MFCD00062744 | Q13640579 | IMNFDUFMRHMDMM-NEBSKJCTSA-N | Heptane-d16 | hexadecadeuterio-heptane | n-Heptane-d{16} | n-heptane-d16 | 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-hexadecadeuterioheptane | DTXSID40335328 | J-019336 | D98362

사양 및 순도

≥99 원자% D

보관 조건

Argon charged,Room temperature

배송

보통

순수함

≥99 atom% D

이름과 식별자

정식 스마일

CCCCCCC

IUPAC Name

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-hexadecadeuterioheptane

InChIKey

IMNFDUFMRHMDMM-NEBSKJCTSA-N

INCHI

1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3/i1D3,2D3,3D2,4D2,5D2,6D2,7D2

이성체 SMILES

[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H]

WGK 독일

3

대체 CAS

142-82-5(unlabelled)

UN 번호

1206

포장 그룹

II

분자량

116.3

Reaxy-Rn

1730763

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1730763&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Hydrocarbons
    • 분류 Saturated hydrocarbons
      • Subclass Alkanes

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• 분류: Saturated hydrocarbons
• Subclass: Alkanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Alkanes
• Alternative Parents: Not available
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acyclic alkane - Alkane - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as alkanes. These are acyclic branched or unbranched hydrocarbons having the general formula CnH2n+2 , and therefore consisting entirely of hydrogen atoms and saturated carbon atoms.
• 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: Difficult to mix.
• 감도: Light &Moisture sensitive.
• 굴절률: 1.3844
• 발화점(°F): 24.8℉
• 발화점(°C): -4°C
• 끓는점(°C): 98°C
• 녹는점(°C): -91°C
• 분자량: 116.300 g/mol
• XLogP3: 4.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 4
• Exact Mass: 116.226 Da
• Monoisotopic Mass: 116.226 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 19.200
• Isotope Atom Count: 16
• 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