1-エチニルシクロヘキサンアミン

1-Ethynylcyclohexylamine

HCID 121691

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 30389-18-5
標準SMILES: C#CC1(N)CCCCC1
InChIKey: GDKOYYDQISQOMH-UHFFFAOYSA-N
分子式: C8H13N
平均分子量: 123.2 g/mol
単同位体質量: 123.10479942

名称と識別子

優先名称: 1-Ethynylcyclohexylamine
IUPAC: 1-ethynylcyclohexan-1-amine
現地名: 1-エチニルシクロヘキサンアミン
英語名: 1-Ethynylcyclohexylamine
分子式: C8H13N
分子量: 123.2

名称と別名

1-Ethynylcyclohexylamine30389-18-5Cyclohexanamine, 1-ethynyl-1-ethynylcyclohexan-1-amineEINECS 250-172-8Z445AV6Q6J1-AMINO-1-ETHYNYLCYCLOHEXANEDTXSID50675541-ETHYNYL-1-AMINOCYCLOHEXANERefChem:432736DTXCID9038189250-172-8

名称をさらに表示

1-エチニルシクロヘキサン-1-アミン1-エチニルシクロヘキサンアミン1-エチニルシクロヘキシルアミン1-アミノ-1-エチニルシクロヘキサン1-エチニルシクロヘキシルアミン, 98%CBI-BB ZERO/0055041-ethynyl-cyclohexanamin1-Ethynylcyclohexylamine 98%Cyclohexanamine, 1-ethynyl- (9CI)

1-ethynylcyclohexanamineMFCD00001489Cyclohexanamine,1-ethynyl-1-Ethynyl-cyclohexylamine1-ethynylcyclohexaneamine1-ethynylcyclohexyl amine1-ethinyl-cyclohexyl-amineUNII-Z445AV6Q6J

データベース識別子

CAS: 30389-18-5
PubChem CID: 121691
DTXSID: DTXSID5067554
UNII: Z445AV6Q6J
EC Number: 250-172-8
Nikkaji: J249.980K

物性

構造計算による物性

XLogP: 1
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: 1
重原子数: 9
形式電荷: 0
複雑度: 134

物理化学的性質

沸点: 65 · 65-66 °C20 mm Hg(lit.)
比重(密度): 0.913 g/mL · 0.913 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.482(lit.)
闪点: 108 °F · 108 °F
貯蔵温度: 2 · 2-8°C, protect from light
酸解離定数(Pka): 7.76 · 7.76±0.70(Predicted)
外見: liquid
InChI: 1S/C8H13N/c1-2-8(9)6-4-3-5-7-8/h1H,3-7,9H2
InChIKey: GDKOYYDQISQOMH-UHFFFAOYSA-N
SMILES: NC1(CCCCC1)C#C
EPAの化学物質情報: 1 · Cyclohexanamine, 1-ethynyl- (30389-18-5)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H226 (97.7%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 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

Hazard Classes and CategoriesFlam. Liq. 3 (97.7%)

安全データ

wgk: 3
tsca: TSCA listed
ridadr: UN 2734 8/PG 2
hs_code: 29213000
risk_code: 10-34
hazard_code: C
safety_code: 16-26-27-36/37/39-45
hazard_class: 8
packing_group: II
Hazard Classifications: Eye Dam. 1Flam. Liq. 3Skin Corr. 1B
ストレージクラス: 3 - Flammable liquids

化学と産業

用途と製造

General Manufacturing InformationCyclohexanamine, 1-ethynyl-: ACTIVE

応用分野

使用1-Ethynylcyclohexylamine was used in the synthesis of bicyclic and tetracyclic compounds. It was also used as a substrate in the reaction of a series of alkynes with mercury(II)acetate.