Cycloheptylamine (HCID 2899)

名称と識別子

優先名称: Cycloheptylamine
IUPAC: cycloheptanamine
現地名: シクロヘプチルアミン
英語名: CYCLOHEPTYLAMINE
分子式: C7H15N
分子量: 113.2

名称と別名

CycloheptylamineCycloheptanamine5452-35-794Y6LRJ7TCNSC-18962DTXSID7063899RefChem:580317DTXCID4041735226-693-1AminocycloheptaneMFCD00004153cycloheptyl amine

名称をさらに表示

シクロヘプチルアミンシクロヘプタンアミンスベリルアミン1-シクロヘプタンアミンアミノシクロヘプタンシクロヘプチルアミン, 97%cycoheptylamineAKOS BBS-000035951-CycloheptanamineTIMTEC-BB SBB004311Cycloheptylamine,99%(2-Cycloheptyl)amine

Cycloheptanamine-N-cycloheptylamine1-cycloheptylaminecycloheptanyl amineSZ1EINECS 226-693-1NSC 18962Cycloheptylamine, 99%

データベース識別子

CAS: 5452-35-7
PubChem CID: 2899
DTXSID: DTXSID7063899
ChEMBL: CHEMBL1171864
UNII: 94Y6LRJ7TC
EC Number: 226-693-1
Nikkaji: J217H

物性

構造計算による物性

XLogP: 2
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: 8
形式電荷: 0
複雑度: 53

実験および物理化学的性質

Kovats Retention Index987.3

物理化学的性質

融点: -18 °C · -18°C
沸点: 54 °C/11 · 54 °C/11 mmHg (lit.)
比重(密度): 0.889 g/mL · 0.889 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.472(lit.)
闪点: 108 °F · 108 °F
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
外見: 液体
酸解離定数(Pka): 11.04 · 11.04±0.20(Predicted)
色: 無色透明～微黄色透明
比重: 0.887 · 0.887
BRN: 1847543 · 1847543
InChI: InChI=1S/C7H15N/c8-7-5-3-1-2-4-6-7/h7H,1-6,8H2
InChIKey: VXVVUHQULXCUPF-UHFFFAOYSA-N
SMILES: C1(N)CCCCCC1
CAS データベース: 5452 · 5452-35-7(CAS DataBase Reference)
EPAの化学物質情報: Cycloheptanamine (5452-35-7)

化学的性質

化学的特性clear colourless to slightly yellow liquid

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 2.2% (1 of 46) of reports.

Danger

H226 (97.8%): Flammable liquid and vapor [Warning Flammable liquids]；H314 (13%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (84.8%): Causes skin irritation [Warning Skin corrosion/irritation]；H335 (87%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P319, P321, P332+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 46 reports by companies.；There are 5 notifications provided by 45 of 46 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Hazard Classes and CategoriesFlam. Liq. 3 (97.8%)；Skin Corr. 1B (13%)；Skin Irrit. 2 (84.8%)；STOT SE 3 (87%)

安全データ

wgk: 3
tsca: TSCA listed
ridadr: UN 2734 8/PG 2
hs_code: 29213099
risk_code: 10-37/38
消防法: 危-4-2-III
hazard_code: Xi
safety_code: 23
hazard_class: 8
packing_group: II
Hazard Classifications: Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
ストレージクラス: 3 - Flammable liquids

化学と産業

用途と製造

General Manufacturing InformationCycloheptanamine: ACTIVE

応用分野

用途有機合成原料。

調製方法

純化方法It can be purified by conversion to the hydrochloride m 242-246o, and the free base is distilled under dry N2 in a vacuum [Cope et al. J Am Chem Soc 75 3212 1953, Prelog et al. Helv Chim Acta 33 365 1950]. [Beilstein 12 IV 115.]