1-Isopropylpiperazine (HCID 78013)

名称と識別子

優先名称: 1-Isopropylpiperazine
IUPAC: 1-propan-2-ylpiperazine
現地名: 1-イソプロピルピペラジン
英語名: 1-Isopropylpiperazine
分子式: C7H16N2
分子量: 128.22

名称と別名

1-IsopropylpiperazineisopropylpiperazineRefChem:433380224-345-34318-42-7N-Isopropylpiperazine1-(propan-2-yl)piperazine1-propan-2-ylpiperazine137186-14-21-Isopropyl-piperazineIsopropyl piperazinePiperazine, 1-isopropyl-

名称をさらに表示

1-イソプロピルピペラジンN-イソプロピルピペラジン(1-イソプロピル)ピペラジン1-(イソプロピル)ピペラジン1-(プロパン-2-イル)ピペラジンIFLAB-BB F1929-1669TIMTEC-BB SBB004236RARECHEM AH CK 01831-IsopropylpyrazineN-Isopropypiperazine1-isopropyl-piperazin1-(2-PROPYL)PIPERAZINE

n-isopropyl piperazinePiperazine, 1-(1-methylethyl)-1-(1-Methylethyl)piperazineMFCD00167971(1-Isopropyl)piperazine1-(isopropyl)piperazine(methylethyl)piperazineBRN 0103377

データベース識別子

CAS: 4318-42-7
PubChem CID: 78013
DTXSID: DTXSID40195762
ChEMBL: CHEMBL1740581
EC Number: 224-345-3
Nikkaji: J35.450C

物性

構造計算による物性

XLogP: 0.4
極性表面積: 15.3 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 1
重原子数: 9
形式電荷: 0
複雑度: 75

物理化学的性質

沸点: 180 · 180-181 °C (lit.)
比重(密度): 0 · 0,896 g/cm3
屈折率: 20 · n20/D 1.4710(lit.)
闪点: 130 °F · 130 °F
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
外見: 液体
酸解離定数(Pka): 9.23 · 9.23±0.10(Predicted)
比重: 0.896 · 0.896
色: 澄んだ薄黄色
水溶解度: 水にわずかに溶ける。
InChI: InChI=1S/C7H16N2/c1-7(2)9-5-3-8-4-6-9/h7-8H,3-6H2,1-2H3
InChIKey: WHKWMTXTYKVFLK-UHFFFAOYSA-N
SMILES: N1(C(C)C)CCNCC1
CAS データベース: 4318 · 4318-42-7(CAS DataBase Reference)

化学的性質

化学的特性Clear pale yellow liquid

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H311 (89.4%): Toxic in contact with skin [Danger Acute toxicity, dermal]；H312 (10.6%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (91.5%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (89.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (89.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P261, P262, P264, P264+P265, P270, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P317, P319, P321, P332+P317, P337+P317, P361+P364, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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 (100%)；Acute Tox. 3 (89.4%)；Acute Tox. 4 (10.6%)；Skin Irrit. 2 (91.5%)；Eye Irrit. 2 (89.4%)；STOT SE 3 (89.4%)

安全データ

wgk: 3
rtecs: TM0860000
ridadr: UN 1992 3/PG 3
hs_code: 29339900
risk_code: 10-21-36/37/38
消防法: 危-4-2-III
hazard_code: Xn,F,C,Xi
hazard_note: Irritant
safety_code: 16-26-36
hazard_class: 3
packing_group: III
Hazard Classifications: Acute Tox. 3 DermalEye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
ストレージクラス: 3 - Flammable liquids