2,6-Diethylaniline-d₁₅ - ≥98 atom% D , CAS No.285132-89-0

CAS: 285132-89-0 Cat. No.: D471986 분자식: (C₂D₅)₂C₆D₃ND₂ 분자량: 164.33 EC 번호: 693-196-8

GRADE & PURITY ≥98 atom% D

Synonyms

N,N,3,4,5-pentadeuterio-2,6-bis(1,1,2,2,2-pentadeuterioethyl)aniline | HY-W017455S | 2,6-Diethylaniline-d15, 98 atom % D | AKOS015912440 | D98384 | DTXSID90584006 | 2,6-Diethylaniline-d15 | 2,6-Bis[(~2~H_5_)ethyl](~2~H_5_)aniline | J-017111

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

동의어

N,N,3,4,5-pentadeuterio-2,6-bis(1,1,2,2,2-pentadeuterioethyl)aniline | HY-W017455S | 2,6-Diethylaniline-d15, 98 atom % D | AKOS015912440 | D98384 | DTXSID90584006 | 2,6-Diethylaniline-d15 | 2,6-Bis[(~2~H_5_)ethyl](~2~H_5_)aniline | J-017111

사양 및 순도

≥98 atom% D

보관 조건

Store at 2-8°C

배송

Wet ice

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순수함

≥98 atom% D

이름과 식별자

• 정식 스마일: CCC1=C(C(=CC=C1)CC)N
• IUPAC Name: N,N,3,4,5-pentadeuterio-2,6-bis(1,1,2,2,2-pentadeuterioethyl)aniline
• InChIKey: FOYHNROGBXVLLX-IFODOZFGSA-N
• INCHI: 1S/C10H15N/c1-3-8-6-5-7-9(4-2)10(8)11/h5-7H,3-4,11H2,1-2H3/i1D3,2D3,3D2,4D2,5D,6D,7D/hD2
• 이성체 SMILES: [2H]C1=C(C(=C(C(=C1[2H])C([2H])([2H])C([2H])([2H])[2H])N([2H])[2H])C([2H])([2H])C([2H])([2H])[2H])[2H]
• 분자량: 164.33
• Reaxy-Rn: 1423626
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1423626&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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

• 굴절률: n20/D 1.545 (lit.)
• 발화점(°F): 239.0 °F - closed cup
• 발화점(°C): 115.00 °C - closed cup
• 끓는점(°C): 243℃ (lit.)
• 분자량: 164.320 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 164.215 Da
• Monoisotopic Mass: 164.215 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 99.400
• Isotope Atom Count: 15
• 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

자주 묻는 질문

What is the isotopic enrichment of this product?

This product is isotopically enriched to ≥98 atom% deuterium. Isotopic enrichment is a separate specification from chemical purity — a labelled compound has both. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 285132-89-0, the molecular formula is C10H15N, and the molecular weight is 164.33 g/mol. InChIKey FOYHNROGBXVLLX-IFODOZFGSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.