N-(4-ピペリジニル)ベンゼンアミン

4-Anilinopiperidine

HCID 89982CAS 23056-29-3

部分構造検索類似構造を探す

基本情報

標準SMILES: c1ccc(NC2CCNCC2)cc1
InChIKey: LKRMTUUCKBQGFO-UHFFFAOYSA-N
分子式: C11H16N2
平均分子量: 176.26 g/mol
単同位体質量: 176.13134851

名称と識別子

優先名称: 4-Anilinopiperidine
IUPAC: N-phenylpiperidin-4-amine
現地名: N-(4-ピペリジニル)ベンゼンアミン
英語名: N-phenylpiperidin-4-amine
分子式: C11H16N2
分子量: 176.26

名称と別名

N-Phenylpiperidin-4-amine4-anilinopiperidine4-Piperidinamine, N-phenyl-4-(phenylamino)piperidineCQ9ROS690XEINECS 245-402-9NSC-80678DTXSID40177624N-(PIPERIDIN-4-YL)ANILINENSC 80678FENTANYL CITRATE IMPURITY F [EP IMPURITY]FENTANYL CITRATE IMPURITY F (EP IMPURITY)

名称をさらに表示

N-(4-ピペリジニル)ベンゼンアミンデスプロピオニルノルフェンタニルN-フェニル-4-ピペリジンアミン4-アニリノピペリジンN-フェニルピペリジン-4-アミンN-(4-ピペリジル)アニリンN-phenylpiperidin-4-Fentanyl EP Impurity IDespropionyl norfentanylphenyl(4-piperidyl)amineN-Phenylpiperidin-4-aMin4-Piperidinamine,N-phenyl-Fentanyl Related CoMpound BPhenyl-Piperidine-4-YL-Amine

RefChem:518332DTXCID00100115245-402-9N-phenylpiperidin-4-amine (4-anilinopiperidine;N-phenyl-4-piperidinamine; 4-AP), its amides, its carbamates, its halides, its salts, and any combination thereof, whenever the existence of such is possible23056-29-3N-Phenyl-4-piperidinaminePhenyl-piperidin-4-yl-aminen-phenyl-n-(4-piperidyl)amine

データベース識別子

CAS: 23056-29-3
PubChem CID: 89982
DTXSID: DTXSID40177624
UNII: CQ9ROS690X
EC Number: 245-402-9
Nikkaji: J307.766G

物性

構造計算による物性

XLogP: 2
極性表面積: 24.1 Å²
水素結合供与体数: 2
水素結合受容体数: 2
回転可能結合数: 2
重原子数: 13
形式電荷: 0
複雑度: 135

実験および物理化学的性質

Drugs · 2 件

DEA NFLIS-Drug Category -> Fentanyl and Fentanyl-related

Pharmaceuticals -> Synthetic Cannabinoids or Psychoactive Compounds

物理化学的性質

沸点: 312 · 312.0±35.0 °C(Predicted)
比重(密度): 1.052 · 1.052±0.06 g/cm3(Predicted)
貯蔵温度: -20 °C · Store at -20°C
溶解性: 30 mg/ml,DMSO: · DMF: 30 mg/ml,DMSO: 30 mg/ml,Ethanol: 30 mg/ml
外見: A crystalline solid
酸解離定数(Pka): 9.83 · 9.83±0.10(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

危険有害性情報

Regulatory Information · 1 件

List I Chemical: A chemical specified by regulation that, in addition to legitimate uses, is used in manufacturing a controlled substance in violation of the Act and is important to the manufacture of a controlled substance. (21 eCFR 1310.02)

Hazard Classes and CategoriesAcute Tox. 4 (100%)

安全データ

hs_code: 2933399090
hazard_class: IRRITANT

化学と産業

用途と製造

DEA Listed Chemicals · 2 件

N-phenylpiperidin-4-amine (4-anilinopiperidine;N-phenyl-4-piperidinamine; 4-AP), its amides, its carbamates, its halides, its salts, and any combination thereof, whenever the existence of such is possible

A chemical specified by regulation that, in addition to legitimate uses, is used in manufacturing a controlled substance in violation of the Act and is important to the manufacture of a controlled substance. (21 eCFR 1310.02)