β-Naphthylamine - ≥98%, used for 2-Naphthylamine has been used as reference standard during isolation and identification of urinary metabolites using preparative thin-layer chromatography and gas-liquid chromatography/mass spectral analysis. various appli

CAS: 91-59-8 Cat. No.: N140874 분자식: C₁₀H₉N 분자량: 143.19 Beilstein Registry Number: 3939429 EC 번호: 202-080-4

등급 & 순도 ≥98%

Synonyms

2-Naphthylamin|2-Naphtylamine|2-Aminonaftalen [Czech]|RCRA waste number U168|2-Naphthylamin [German]|2-NAPHTHYLAMINE|Naphthalen-2-ylamine|2-Naftylamin [Czech]|a-Naphthylamine|.beta.-Naphthylamin|6-Naphthylamine|beta-amino-naphthalene|Fast Scarlet Base B|2-Naphthalamine|ACETICACID-D|2-Naftylamin|2-NAPHTHYLAMINE [HSDB]|beta-Naphthylamine [UN1650] [Poison]|2-Aminonaftalen|2-NAPHTHYLAMINE [MI]|2-NAPHTHYLAMINE [IARC]|beta-Naftalamin|.beta.-Naftilamina|naphthalen-2-amine|beta-Naphthylamin|2-Aminonaphthalene|2-Amino-naphthalene|2-naphthyl amine|beta-Naftyloamina [Polish]|.beta.-naftyloamina|.beta.-Naphthylamine|2-naphthaleneamine|2-aminonaphthylamine|beta-Naphthylamin [German]|BNA|2-aminonapthalene|2-Naphthylamine mustard|2-naftilamina|beta-Naftalamin [Czech]|beta-Naftylamin [Czech]|USAF CB-22|.beta.-Naftylamin|2-Naphthylamine, powder|RCRA waste no. U168|.beta.-Naftalamin|2-Naftylamine|2-napthylamine|2-Naphthalenamine|beta-Naphthylamine|beta-Naftylamin|napthylamine|.BETA.-AMINONAPHTHALENE|2-Naftylamine [Dutch]

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice,FedEx DG Service

개요

2-Naphthylamine is a carcinogenic aromatic amine which induces tumor in urinary bladder.

사양

동의어

2-Naphthylamin | 2-Naphtylamine | 2-Aminonaftalen [Czech] | RCRA waste number U168 | 2-Naphthylamin [German] | 2-NAPHTHYLAMINE | Naphthalen-2-ylamine | 2-Naftylamin [Czech] | a-Naphthylamine | .beta.-Naphthylamin | 6-Naphthylamine | beta-amino-naphthalene | Fast Scarlet Base B | 2-Naphthalamine | ACETICACID-D | 2-Naftylamin | 2-NAPHTHYLAM Show more

사양 및 순도

≥98%

생화학 및 생리적 메커니즘

Environmental carcinogen; induces bladder cancer.

애플리케이션

2-Naphthylamine has been used as reference standard during isolation and identification of urinary metabolites using preparative thin-layer chromatography and gas-liquid chromatography/mass spectral analysis.

보관 조건

Store at 2-8°C,Protected from light

배송

Wet ice,FedEx DG Service

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순수함

≥98%

이름과 식별자

Pubchem Sid

504751238

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751238

정식 스마일

C1=CC=C2C=C(C=CC2=C1)N

IUPAC Name

naphthalen-2-amine

InChIKey

JBIJLHTVPXGSAM-UHFFFAOYSA-N

INCHI

1S/C10H9N/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,11H2

이성체 SMILES

C1=CC=C2C=C(C=CC2=C1)N

WGK 독일

3

RTECS

QM2100000

UN 번호

1650(solid)3411(solution)

포장 그룹

II

분자량

143.19

Beilstein

3939429

Reaxy-Rn

606264

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=606264&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Naphthalenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenes
• Alternative Parents: Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 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 naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
• External Descriptors: naphthylamine

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

관련 대상(인간)

NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

AR Tclin Androgen Receptor (11781 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

AHR Tclin Aryl hydrocarbon receptor (1071 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

UGT1A4 Tbio UDP-glucuronosyltransferase 1A4 (288 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HSD17B10 Tchem Endoplasmic reticulum-associated amyloid beta-peptide-binding protein (20669 Activities)

Discover Target: HSD17B10

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GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)

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UGT2B15 Tbio UDP-glucuronosyltransferase 2B15 (172 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

UGT1A1 Tchem UDP-glucuronosyltransferase 1-1 (448 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

NCF1 Tbio Neutrophil cytosol factor 1 (245 Activities)

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SULT4A1 Tbio Sulfotransferase 4A1 (6 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

UGT1A6 Tbio UDP-glucuronosyltransferase 1-6 (221 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

UGT1A9 Tbio UDP-glucuronosyltransferase 1-9 (343 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

RGS4 Tchem Regulator of G-protein signaling 4 (13867 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

관련 대상(비인간)

Tec Tyrosine-protein kinase TEC (25 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Rattus norvegicus (775804 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Rorc Nuclear receptor ROR-gamma (89407 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Nr1i2 Nuclear receptor subfamily 1 group I member 2 (14 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

clpP ATP-dependent Clp protease proteolytic subunit (245 Activities)

Discover Target: clpP

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

작용 메커니즘

화학 및 물리적 특성

• 용해성: Soluble in Ethyl Acetate and Methanol
• 감도: light sensitive
• 끓는점(°C): 306°C
• 녹는점(°C): 111-113°C
• 분자량: 143.180 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 143.073 Da
• Monoisotopic Mass: 143.073 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 133.000
• 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