基本情報
- 標準SMILES
NCCN1CCNC1=O- InChIKey
PODSUMUEKRUDEI-UHFFFAOYSA-N- 分子式
- C5H11N3O
- 平均分子量
- 129.16 g/mol
- 単同位体質量
- 129.09021197
名称と識別子
- 優先名称
- N-(2-Aminoethyl)ethyleneurea
- IUPAC
- 1-(2-aminoethyl)imidazolidin-2-one
- 現地名
- 1-(2-アミノエチル)-2-イミダゾリジノン
- 英語名
- 1-(2-Aminoethyl)imidazolidin-2-one
- 分子式
- C5H11N3O
- 分子量
- 129.16
名称と別名
名称をさらに表示
データベース識別子
- CAS
6281-42-1- PubChem CID
- 80480
- DTXSID
DTXSID3044706- ChEMBL
CHEMBL3187158- UNII
- 9HKK1MLY77
- EC Number
- 228-491-9
- Nikkaji
- J211.522K
物性
構造計算による物性
- XLogP
- -1.6
- 極性表面積
- 58.4 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 2
- 回転可能結合数
- 2
- 重原子数
- 9
- 形式電荷
- 0
- 複雑度
- 115
実験および物理化学的性質
物理化学的性質
- 沸点
- 138 · 138-140/0.11mm
- 比重(密度)
- 1.137 · 1.137±0.06 g/cm3(Predicted)
- 貯蔵温度
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- 外見
- viscous oil
- 酸解離定数(Pka)
- 14.42 · 14.42±0.20(Predicted)
- 色
- Orange
- InChI
- InChI=1S/C5H11N3O/c6-1-3-8-4-2-7-5(8)9/h1-4,6H2,(H,7,9)
- InChIKey
- PODSUMUEKRUDEI-UHFFFAOYSA-N
- SMILES
- C1(=O)N(CCN)CCN1
- CAS データベース
- 6281 · 6281-42-1(CAS DataBase Reference)
- EPAの化学物質情報
- 2 · 2-Imidazolidinone, 1-(2-aminoethyl)- (6281-42-1)
化学的性質
化学的特性Colorless to off-white liquid
安全と法規制
GHS分類
GHS Classification
Danger
H314 (99.5%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P261, P264, P264+P265, P272, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P333+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 553 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
2-Imidazolidinone, 1-(2-aminoethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Imidazolidinone, 1-(2-aminoethyl)- 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: 10-11-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/18216
2-Imidazolidinone, 1-(2-aminoethyl)-: 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
- ridadr
- 3259
- hs_code
- 29332900
- risk_code
- 34
- hazard_code
- Xi,C
- hazard_note
- Irritant
- safety_code
- 22-26-36/37/39-45
- hazard_class
- 8
化学と産業
用途と製造
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
2-Imidazolidinone, 1-(2-aminoethyl)-: ACTIVE
上流・下流製品情報
上流原料
サプライヤー50 社
関連反応
関連ノート
読み込み中…