4-Aminophenol-d₇ - ≥98%(CP),≥98 atom% D , CAS No.285132-88-9

CAS: 285132-88-9 Cat. No.: A471985 분자식: D₂NC₆D₄OD 분자량: 116.17 EC 번호: 693-199-4

GRADE & PURITY ≥98%(CP),≥98 atom% D

Synonyms

SCHEMBL3360386 | 4-(~2~H_2_)Amino(O-~2~H_5_)phenol | 4-Aminophenol-d7, analytical standard | 4-Aminophenol-d7 | 4-(Amino-d2)phen-2,3,5,6-d4-ol | DTXSID10584008 | N,N,2,3,5,6-hexadeuterio-4-deuteriooxyaniline | D98847 | 4-Aminophenol-d7, 98 atom % D | J-01

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

동의어

SCHEMBL3360386 | 4-(~2~H_2_)Amino(O-~2~H_5_)phenol | 4-Aminophenol-d7, analytical standard | 4-Aminophenol-d7 | 4-(Amino-d2)phen-2,3,5,6-d4-ol | DTXSID10584008 | N,N,2,3,5,6-hexadeuterio-4-deuteriooxyaniline | D98847 | 4-Aminophenol-d7, 98 atom % D | J-01

사양 및 순도

≥98%(CP),≥98 atom% D

보관 조건

Store at 2-8°C,Protected from light

배송

Wet ice

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순수함

≥98%(CP),≥98 atom% D

이름과 식별자

정식 스마일

C1=CC(=CC=C1N)O

IUPAC Name

N,N,2,3,5,6-hexadeuterio-4-deuteriooxyaniline

InChIKey

PLIKAWJENQZMHA-ZZLZVNDKSA-N

INCHI

1S/C6H7NO/c7-5-1-3-6(8)4-2-5/h1-4,8H,7H2/i1D,2D,3D,4D/hD3

이성체 SMILES

[2H]C1=C(C(=C(C(=C1N([2H])[2H])[2H])[2H])O[2H])[2H]

대체 CAS

123-30-8 (Unlabeled)

UN 번호

2512

분자량

116.17

Reaxy-Rn

385836

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=385836&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Phenols
      • Subclass 1-hydroxy-2-unsubstituted benzenoids

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Phenols
• Subclass: 1-hydroxy-2-unsubstituted benzenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: 1-hydroxy-2-unsubstituted benzenoids
• Alternative Parents: Benzene and substituted derivatives Primary amines Organopnictogen compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as 1-hydroxy-2-unsubstituted benzenoids. These are phenols that a unsubstituted at the 2-position.
• 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

• 감도: light sensitive
• 발화점(°F): 383.0 °F - closed cup
• 발화점(°C): 195 °C - closed cup
• 녹는점(°C): 188-190℃ (lit.)
• 분자량: 116.170 g/mol
• XLogP3: 0.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 116.097 Da
• Monoisotopic Mass: 116.097 Da
• Topological Polar Surface Area: 46.300 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 66.900
• Isotope Atom Count: 7
• 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