基本信息
- 标准SMILES
O=C(O)CN(CCO)CC(=O)O- InChIKey
JYXGIOKAKDAARW-UHFFFAOYSA-N- 分子式
- C6H11NO5
- 平均分子量
- 177.16 g/mol
- 单同位素质量
- 177.06372245
名称与标识
- 首选名称
- (2-Hydroxyethyl)iminodiacetic acid
- IUPAC
- 2-[carboxymethyl(2-hydroxyethyl)amino]acetic acid
- 中文名
- N-羟乙基亚胺二乙酸
- 英文名
- N-(2-Hydroxyethyl)iminodiacetic acid
- 分子式
- C6H11NO5
- 分子量
- 177.16
名称与别名
展开更多名称
数据库标识
- CAS
93-62-9- PubChem CID
- 7152
- DTXSID
DTXSID4042177- ChEBI
CHEBI:143268- UNII
- BPQ4R5AF5K
- EC Number
- 202-263-9
- Nikkaji
- J55.322K
性质
结构计算性质
- XLogP
- -3.5
- 极性表面积
- 98.1 Ų
- 氢键供体
- 3
- 氢键受体
- 6
- 可旋转键
- 6
- 重原子
- 12
- 形式电荷
- 0
- 复杂度
- 153
实验与物化性质
物理化学性质
- 熔点
- 178 °C · 178 °C (lit.)
- 沸点
- 309.06 °C · 309.06°C (rough estimate)
- 密度
- 1.4347 · 1.4347 (rough estimate)
- 蒸气压
- 8.398 hPa · 8.398hPa at 21.1℃
- 折射率
- 1.423 · 1.4230 (estimate)
- 储存条件
- 2 · 2-8°C, protect from light
- 溶解度
- 0.1 M · 0.1 M NaOH: 50 mg/mL, clear
- 酸度系数(pKa)
- 1 · pK1:2.2;pK2:8.65 (25°C,μ=0.1)
- 形态
- powder to crystal
- 颜色
- White to Almost white
- 水溶解性
- 18.61 g/L · 18.61g/L at 25℃
- BRN
- 1780628 · 1780628
- 主要应用
- peptide synthesis
- InChI
- InChI=1S/C6H11NO5/c8-2-1-7(3-5(9)10)4-6(11)12/h8H,1-4H2,(H,9,10)(H,11,12)
- InChIKey
- JYXGIOKAKDAARW-UHFFFAOYSA-N
- SMILES
- C(O)(=O)CN(CC(O)=O)CCO
- LogP
- -1.17 at · -1.17 at 25℃
- CAS 数据库
- 93 · 93-62-9(CAS DataBase Reference)
- EPA化学物质信息
- N-(2-Hydroxyethyl)iminodiacetic acid (93-62-9)
化学性质
白色颗粒状结晶。熔点168℃(180℃分解)。易溶于热水,微溶于冷水。
安全与法规
GHS分类
GHS Classification
Danger
H302 (57.9%): Harmful if swallowed [Warning Acute toxicity, oral];H314 (11.6%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H315 (23.2%): Causes skin irritation [Warning Skin corrosion/irritation];H318 (64.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H319 (23.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (22.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 190 reports by companies from 8 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.
危害信息
Regulatory Information
Chemical: Glycine, N-(carboxymethyl)-N-(2-hydroxyethyl)-
Status: Active Update: 16-09-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/22258
法规信息
Regulatory Information
Chemical: Glycine, N-(carboxymethyl)-N-(2-hydroxyethyl)-
Status: Active Update: 16-09-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/22258
安全数据
- wgk
- 3
- tsca
- TSCA listed
- RTECS号
- AI1925000
- 存储类别
- 11 - Combustible Solids
- 安全说明
- 26-36
- 海关编码
- 29252900
- 危险品标志
- Xi
- 危险性类别
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 危险类别码
- 36/37/38
化学与工业
用途与制造
应用领域
用途N-羟乙基亚胺二乙酸是一种有用的有机合成化合物。
用途作络合剂。
制备方法
生产方法将60g氯乙酸溶于200ml水中,用25g碳酸钾中和后加入15g乙醇胺和40g碳酸钾,加热回流3h,冷却后用浓盐酸酸化至pH=2。静置冷却后析出N-羟乙基亚胺二乙酸结晶。经水重结晶,得成品22g,收率50%。
上下游产品信息
上游原料
下游产品
试剂价格
- XW019362902 · 5g
- N-羟乙基亚胺二乙酸N-(2-Hydroxyethyl)iminodiacetic Acid — 81元
- H0489 · 5G
- N-(2-羟乙基)亚氨基二乙酸N-(2-Hydroxyethyl)iminodiacetic Acid — 295元
供应商50 家
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