4-Aminopyrene - ≥97% , CAS No.17075-03-5

CAS: 17075-03-5 Cat. No.: A151445 분자식: C₁₆H₁₁N 분자량: 217.27 Beilstein Registry Number: 12(4)3465 EC 번호: 677-123-7

등급 & 순도 ≥97%

Synonyms

pyren-4-amine | SB79471 | 4-Pyrenamine | DTXSID40168936 | AKOS015854635 | AO-801/41077362 | AYBSKADMMKVOIV-UHFFFAOYSA-N | UTE55V8WW6 | CCRIS 7008 | UNII-UTE55V8WW6 | SCHEMBL1899794 | AS-76742 | T70412 | 4-Aminopyrene | BRN 2212364 | pyren-4-ylamine

Storage

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

Shipped In

Wet ice

사양

동의어

pyren-4-amine | SB79471 | 4-Pyrenamine | DTXSID40168936 | AKOS015854635 | AO-801/41077362 | AYBSKADMMKVOIV-UHFFFAOYSA-N | UTE55V8WW6 | CCRIS 7008 | UNII-UTE55V8WW6 | SCHEMBL1899794 | AS-76742 | T70412 | 4-Aminopyrene | BRN 2212364 | pyren-4-ylamine

사양 및 순도

≥97%

보관 조건

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

배송

Wet ice

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순수함

≥97%

이름과 식별자

Pubchem Sid

528760270

정식 스마일

C1=CC2=C3C(=C1)C=C(C4=CC=CC(=C43)C=C2)N

IUPAC Name

pyren-4-amine

InChIKey

AYBSKADMMKVOIV-UHFFFAOYSA-N

INCHI

1S/C16H11N/c17-14-9-12-5-1-3-10-7-8-11-4-2-6-13(14)16(11)15(10)12/h1-9H,17H2

이성체 SMILES

C1=CC2=C3C(=C1)C=C(C4=CC=CC(=C43)C=C2)N

RTECS

UR2277000

분자량

217.27

Beilstein

12(4)3465

Reaxy-Rn

2212364

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2212364&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Pyrenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Pyrenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrenes
• Alternative Parents: Phenanthrenes and derivatives Naphthalenes Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Pyrene - Phenanthrene - Naphthalene - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic homopolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as pyrenes. These are compounds containing a pyrene moiety, which consists four fused benzene rings, resulting in a flat aromatic system.
• 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；Air sensitive
• 분자량: 217.260 g/mol
• XLogP3: 4.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 217.089 Da
• Monoisotopic Mass: 217.089 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 300.000
• 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