phenanthren-3-amine - ≥97% , CAS No.1892-54-2

CAS: 1892-54-2 Cat. No.: A168190 분자식: C₁₄H₁₁N 분자량: 193.25

GRADE & PURITY ≥97%

Synonyms

phenanthren-3-amine|3-Phenanthrylamine|1892-54-2|3-Phenanthrenamine|3-Aminophenanthrene|Phenanthrene-3-amine|Phenanthrene, 3-amino|NSC-141594|31408D985F|CCRIS 7004|NSC 141594|BRN 2092693|AI3-17499|UNII-31408D985F|Phenanthren-3-ylamine|phenanthren-3-yl-ami

Storage

Room temperature

Shipped In

Normal

Specifications

동의어

phenanthren-3-amine | 3-Phenanthrylamine | 1892-54-2 | 3-Phenanthrenamine | 3-Aminophenanthrene | Phenanthrene-3-amine | Phenanthrene, 3-amino | NSC-141594 | 31408D985F | CCRIS 7004 | NSC 141594 | BRN 2092693 | AI3-17499 | UNII-31408D985F | Phenanthren-3-ylamine | phenanthren-3-yl-ami

사양 및 순도

≥97%

보관 조건

Room temperature

배송

Normal

순수함

≥97%

이름과 식별자

Pubchem Sid

504754847

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504754847

정식 스마일

C1=CC=C2C(=C1)C=CC3=C2C=C(C=C3)N

IUPAC Name

phenanthren-3-amine

InChIKey

HUWRJSZODLRHMY-UHFFFAOYSA-N

INCHI

1S/C14H11N/c15-12-8-7-11-6-5-10-3-1-2-4-13(10)14(11)9-12/h1-9H,15H2

이성체 SMILES

C1=CC=C2C(=C1)C=CC3=C2C=C(C=C3)N

분자량

193.25

Reaxy-Rn

2092693

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2092693&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Phenanthrenes and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Phenanthrenes and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenanthrenes and derivatives
• Alternative Parents: Naphthalenes Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 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 phenanthrenes and derivatives. These are polycyclic compounds containing a phenanthrene moiety, which is a tricyclic aromatic compound with three non-linearly fused 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

작용 메커니즘

화학 및 물리적 특성

• 분자량: 193.240 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 193.089 Da
• Monoisotopic Mass: 193.089 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 225.000
• 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