5,6,7,8-テトラヒドロ-1-ナフチルアミン

5-Tetralinylamine

HCID 16671CAS 2217-41-6

部分構造検索類似構造を探す

基本情報

標準SMILES: Nc1cccc2c1CCCC2
InChIKey: SODWJACROGQSMM-UHFFFAOYSA-N
分子式: C10H13N
平均分子量: 147.22 g/mol
単同位体質量: 147.10479942

名称と識別子

優先名称: 5-Tetralinylamine
IUPAC: 5,6,7,8-tetrahydronaphthalen-1-amine
現地名: 5,6,7,8-テトラヒドロ-1-ナフチルアミン
英語名: 5,6,7,8-Tetrahydro-1-naphthylamine
分子式: C10H13N
分子量: 147.22

名称と別名

5,6,7,8-Tetrahydro-1-naphthylamine2217-41-65-Aminotetralin1-Amino-5,6,7,8-tetrahydronaphthalene5-Tetralylamine1-Naphthalenamine, 5,6,7,8-tetrahydro-5,6,7,8-Tetrahydro-1-naphthalenamine5-Amino-1,2,3,4-tetrahydronaphthalene1-NAPHTHYLAMINE, 5,6,7,8-TETRAHYDRO-5-Tetralinylaminealpha-TetrahydronaphthylamineNSC 53503

名称をさらに表示

5,6,7,8-テトラヒドロ-1-ナフチルアミン5-アミノテトラリン5,6,7,8-テトラヒドロ-1-ナフタレンアミンテトラリン-5-アミン5,6,7,8-テトラヒドロナフタレン-1-アミン1-アミノ-5,6,7,8-テトラヒドロナフタレンTetralin-5-amineAKOS BBS-00003705TIMTEC-BB SBB0040915,6,7,8-Tetrahydro-1Tetrahydro-1-naphthylaM

EINECS 218-713-2BRN 0387264U0L74S8K6GNSC-535031,2,3,4-Tetrahydro-5-naphthylamine1,2,3,4-Tetrahydro-5-naphthalenamineDTXSID701767014-12-00-02934 (Beilstein Handbook Reference)

データベース識別子

CAS: 2217-41-6
PubChem CID: 16671
DTXSID: DTXSID70176701
UNII: U0L74S8K6G
EC Number: 218-713-2
Nikkaji: J42.466H

物性

構造計算による物性

XLogP: 2.6
極性表面積: 26 Å²
水素結合供与体数: 1
水素結合受容体数: 1
回転可能結合数: 0
重原子数: 11
形式電荷: 0
複雑度: 133

実験および物理化学的性質

SpringerMaterials PropertiesViscosity

物理化学的性質

融点: 38 °C · 38 °C(lit.)
沸点: 275 · 275-277 °C713 mm Hg(lit.)
比重(密度): 1 · 1,06 g/cm3
屈折率: 20 · n20/D 1.590(lit.)
闪点: 230 °F · >230 °F
溶解性: miscible with Alcohol
外見: 液体
酸解離定数(Pka): 4.56 · 4.56±0.20(Predicted)
色: クリアイエロー～ブラウン
BRN: 387264 · 387264
InChI: 1S/C10H13N/c11-10-7-3-5-8-4-1-2-6-9(8)10/h3,5,7H,1-2,4,6,11H2
InChIKey: SODWJACROGQSMM-UHFFFAOYSA-N
SMILES: Nc1cccc2CCCCc12
CAS データベース: 2217 · 2217-41-6(CAS DataBase Reference)
NISTの化学物質情報: 1 · 1-Naphthalenamine, 5,6,7,8-tetrahydro-(2217-41-6)

化学的性質

化学的特性Clear yellow to brown liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 2 件

Chemical: 1-Naphthalenamine, 5,6,7,8-tetrahydro-

1-Naphthalenamine, 5,6,7,8-tetrahydro-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

F: 9
wgk: 3
rtecs: QM4780000
hs_code: 29214990
risk_code: 36/37/38
消防法: 危-4-3-III
hazard_code: Xi
safety_code: 26-36
ストレージクラス: 10 - Combustible liquids

化学と産業

応用分野 · 1 件

使用5,6,7,8-Tetrahydro-1-naphthylamine is used as a reagent in the synthesis of GoSlo-SR-5-69, a potent activator of large conductance Ca2+-activated K+ (BK) channels. 5,6,7,8-Tetrahydro-1-naphthylamine is also used as a reagent in the synthesis of benzopyrans and related compounds as inhibitors of the hypoxia inducible factor pathway.