基本情報
- CAS
104-19-8- 標準SMILES
CN(C)CCN1CCN(C)CC1- InChIKey
XFLSMWXCZBIXLV-UHFFFAOYSA-N- 分子式
- C9H21N3
- 平均分子量
- 171.28 g/mol
- 単同位体質量
- 171.17354767
名称と識別子
- 優先名称
- 1-(2-(N,N-Dimethylamino)ethyl)-4-methylpiperazine
- IUPAC
- N,N-dimethyl-2-(4-methylpiperazin-1-yl)ethanamine
- 現地名
- 1-(2-ジメチルアミノエチル)-4-メチルピペラジン
- 英語名
- 1-(2-Dimethylaminoethyl)-4-methylpiperazine
- 分子式
- C9H21N3
- 分子量
- 171.28
名称と別名
名称をさらに表示
データベース識別子
- CAS
104-19-8- PubChem CID
- 66908
- DTXSID
DTXSID5059292- UNII
- 384CK0D21R
- EC Number
- 203-183-7
- Nikkaji
- J22.150C
物性
構造計算による物性
- XLogP
- 0.1
- 極性表面積
- 9.7 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 3
- 回転可能結合数
- 3
- 重原子数
- 12
- 形式電荷
- 0
- 複雑度
- 117
実験および物理化学的性質
物理化学的性質
- 沸点
- 96 °C · 96 °C / 12mmHg
- 比重(密度)
- 0 · 0,89 g/cm3
- 蒸気圧
- 28.6 Pa · 28.6Pa at 25℃
- 屈折率
- 1.463 · 1.4630-1.4660
- 闪点
- 100 °C · 100°C(lit.)
- 水溶解度
- Completely miscible in water
- 外見
- clear liquid
- 酸解離定数(Pka)
- 9.5 · 9.50±0.28(Predicted)
- 色
- Colorless to Light orange to Yellow
- InChI
- InChI=1S/C9H21N3/c1-10(2)4-7-12-8-5-11(3)6-9-12/h4-9H2,1-3H3
- InChIKey
- XFLSMWXCZBIXLV-UHFFFAOYSA-N
- SMILES
- N1(CCN(C)C)CCN(C)CC1
- LogP
- -0.591 at · -0.591 at 21℃
- CAS データベース
- 104 · 104-19-8(CAS DataBase Reference)
- EPAの化学物質情報
- 1 · 1-Piperazineethanamine, N,N,4-trimethyl- (104-19-8)
安全と法規制
GHS分類
GHS Classification
Danger
H301 (34.4%): Toxic if swallowed [Danger Acute toxicity, oral]
P260, P261, P262, P264, P264+P265, P270, P272, P273, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P361+P364, P362+P364, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 433 reports by companies from 14 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Chemical: 1-Piperazineethanamine, N,N,4-trimethyl-
1-Piperazineethanamine, N,N,4-trimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Piperazineethanamine, N,N,4-trimethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 13-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/27533
1-Piperazineethanamine, N,N,4-trimethyl-: 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.
安全データ
- tsca
- TSCA listed
- rtecs
- TL6125000
- ridadr
- 2922
- hs_code
- 2933599590
- risk_code
- 36/37/38
- 化審法
- (5)-964
- 消防法
- 危-4-3-III
- safety_code
- 26-36/37/39
- hazard_class
- 8
- packing_group
- II
化学と産業
用途と製造
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
1-Piperazineethanamine, N,N,4-trimethyl-: ACTIVE
上流・下流製品情報
下流製品
サプライヤー45 社
関連反応
化合物ノート
読み込み中…