4-ピペコリン
4-Methylpiperidine
データを補完しています。しばらくしてからページを更新すると最新の内容を表示できます
基本情報
- CAS
626-58-4- 標準SMILES
CC1CCNCC1- InChIKey
UZOFELREXGAFOI-UHFFFAOYSA-N- 分子式
- C6H13N
- 平均分子量
- 99.17 g/mol
- 単同位体質量
- 99.10479942
名称と識別子
- 優先名称
- 4-Methylpiperidine
- IUPAC
- 4-methylpiperidine
- 現地名
- 4-ピペコリン
- 英語名
- 4-Methylpiperidine
- 分子式
- C6H13N
- 分子量
- 99.17
名称と別名
4-Methylpiperidine626-58-44-PipecolinePiperidine, 4-methyl-gamma-PipecolineEV6HN6HDP8NSC-66495DTXSID8060820RefChem:99934DTXCID6043418210-954-1.gamma.-Pipecoline
名称をさらに表示
4-ピペコリン4-メチルピペリジン4-ピペコリン(γ-〃)4-メチルピペリジン(4-ピペコリン)4‐メチルピペリジン4PPC4-Methylpiperidine solution4Me-Pipg-PipecolineAKOS BBS-000036664-methyl-piperidin
4-Methyl-piperidine4-methylpiperidin4-Methylpiperidine--d4MFCD00006005?-Pipecoline4-methylpiperdine4-methylpyperidine4-Pipecoline; 4-Methylpiperidine; NSC 126910; NSC 66495; gamma-Pipecoline
データベース識別子
- CAS
626-58-4- PubChem CID
- 69381
- DTXSID
DTXSID8060820- ChEMBL
CHEMBL21533- UNII
- EV6HN6HDP8
- EC Number
- 210-954-1
- Nikkaji
- J6.864K
物性
構造計算による物性補完中
- XLogP
- 1.1
- 極性表面積
- 12 Ų
- 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
- 7
- 形式電荷
- 0
- 複雑度
- 46
実験および物理化学的性質
Physical DescriptionColorless liquid with an amine-like odor; [Alfa Aesar MSDS]
Kovats Retention Index
831；816；816
1077；1075
物理化学的性質
- 融点
- 4 · 4-5 °C
- 沸点
- 124 °C · 124 °C(lit.)
- 比重(密度)
- 0.838 g/mL · 0.838 g/mL at 25 °C(lit.)
- 蒸気圧
- 16 hPa · 16 hPa (20 °C)
- 屈折率
- 20 · n20/D 1.446(lit.)
- 闪点
- 45 °F · 45 °F
- 貯蔵温度
- Flammables area
- 溶解性
- クロロホルム
- 外見
- 液体
- 酸解離定数(Pka)
- 1 · pK1:11.23(+1) (25°C,μ=0.5)
- 比重
- 0.838 · 0.838
- 色
- やや黄色く澄んでいる
- PH
- 13 · 13 (100g/l, H2O, 20℃)
- 水溶解度
- 混和性
- BRN
- 1083 · 1083
- InChI
- 1S/C6H13N/c1-6-2-4-7-5-3-6/h6-7H,2-5H2,1H3
- InChIKey
- UZOFELREXGAFOI-UHFFFAOYSA-N
- SMILES
- CC1CCNCC1
- CAS データベース
- 626 · 626-58-4(CAS DataBase Reference)
- NISTの化学物質情報
- 4 · Piperidine, 4-methyl-(626-58-4)
- EPAの化学物質情報
- 4 · Piperidine, 4-methyl- (626-58-4)
化学的性質
化学的特性clear slightly yellow liquid
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]；H302 (12.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (27.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (70.8%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (70.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (70.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+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 65 reports by companies from 18 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
Regulatory Information
Chemical: Piperidine, 4-methyl-
Status: Active Update: 13-05-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/19405
4-Methylpiperidine: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryCauses burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Alfa Aesar MSDS] See Piperidine.
Hazard Classes and CategoriesFlam. Liq. 2 (100%)；Acute Tox. 4 (12.3%)；Skin Corr. 1A (27.7%)；Skin Irrit. 2 (70.8%)；Eye Irrit. 2 (70.8%)；STOT SE 3 (70.8%)
毒性情報
Adverse EffectsDermatotoxin - Skin burns.；Toxic Pneumonitis - Inflammation of the lungs induced by inhalation of metal fumes or toxic gases and vapors.
法規制情報
Regulatory Information
Chemical: Piperidine, 4-methyl-
Status: Active Update: 13-05-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/19405
4-Methylpiperidine: Does not have an individual approval but may be used under an appropriate group standard
安全データ
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 1993 3/PG 2
- hs_code
- 29333999
- risk_code
- 11-36/37/38-36-20/21-10-61
- 化審法
- (5)-768
- 消防法
- 危-4-1-II
- hazard_code
- F,Xi,T
- safety_code
- 16-26-36-45-36/37-53
- hazard_class
- 3
- packing_group
- II
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Flam. Liq. 2Skin 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 InformationPiperidine, 4-methyl-: ACTIVE
応用分野
使用4-Methylpiperidine is used as a catalyst in the synthesis of stilbene derivatives as anti-malarial agents. It also serves as an anti-corrosive compound for iron.
調製方法
純化方法Purify it via the hydrochloride (m 189o). It is freed from 3-methylpyridine by zone melting. The hydrobromide has m 173o(from butanone/*C6H6). [Beilstein 20 III/IV 1511, 20/4 V 116.]
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