Basic information
- Standard SMILES
O=C(O)CN(CCO)CC(=O)O- InChIKey
JYXGIOKAKDAARW-UHFFFAOYSA-N- Molecular formula
- C6H11NO5
- Average molar mass
- 177.16 g/mol
- Monoisotopic mass
- 177.06372245
Names & identifiers
- Preferred name
- (2-Hydroxyethyl)iminodiacetic acid
- IUPAC
- 2-[carboxymethyl(2-hydroxyethyl)amino]acetic acid
- English name
- N-(2-Hydroxyethyl)iminodiacetic acid
- Molecular formula
- C6H11NO5
- Molecular weight
- 177.16
Names & synonyms
N-(2-Hydroxyethyl)iminodiacetic acid93-62-9Glycine, N-(carboxymethyl)-N-(2-hydroxyethyl)-Ethanolamine-N,N-diacetic acid(2-Hydroxyethyl)iminodiacetic acid(Hydroxyethylimino)diacetic acid2-Hydroxyethylaminodiacetic acidHydroxyethylnitrilodiacetic acidN-(2-Hydroxyethyl)imidodiacetic acid2-Hydroxyethylamino diacetic acidBPQ4R5AF5KDTXSID4042177
Show more names
HIDAusafdo-37USAF do-37ETHANOL DIGLYCINEIFLAB-BB F1019-00082,2'-((2-Hydroxyethyl)ethanolamine-n,n-diaceticacidn-2-hydroxyethyliminodiacetate
CHELEST EANSC-18474CHEBI:143268RefChem:825491N-2-HEIDAADTXCID2022177202-263-9Heida
Database identifiers
- CAS
93-62-9- PubChem CID
- 7152
- DTXSID
DTXSID4042177- ChEBI
CHEBI:143268- UNII
- BPQ4R5AF5K
- EC Number
- 202-263-9
- Nikkaji
- J55.322K
Properties
Computed structural properties
- XLogP
- -3.5
- Topological polar surface area
- 98.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 153
Experimental & physicochemical properties
Physical DescriptionWhite solid; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- 178 °C · 178 °C (lit.)
- Boiling point
- 309.06 °C · 309.06°C (rough estimate)
- Density
- 1.4347 · 1.4347 (rough estimate)
- vapor pressure
- 8.398 hPa · 8.398hPa at 21.1℃
- refractive index
- 1.423 · 1.4230 (estimate)
- storage temp.
- 2 · 2-8°C, protect from light
- solubility
- 0.1 M · 0.1 M NaOH: 50 mg/mL, clear
- form
- powder to crystal
- pka
- 1 · pK1:2.2;pK2:8.65 (25°C,μ=0.1)
- color
- White to Almost white
- Water Solubility
- 18.61 g/L · 18.61g/L at 25℃
- BRN
- 1780628 · 1780628
- Major Application
- 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 DataBase Reference
- 93 · 93-62-9(CAS DataBase Reference)
- FDA UNII
- 4 R5AF5K · BPQ4R5AF5K
- EPA Substance Registry System
- N-(2-Hydroxyethyl)iminodiacetic acid (93-62-9)
- UNSPSC Code
- 12352106 · 12352106
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
- RTECS
- 1925000 · AI1925000
- TSCA
- TSCA listed
- HS Code
- 29252900 · 29252900
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
- REACH Registrations
- Active
Safety & regulation
GHS classification
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.
Hazard information
Regulatory Information
Chemical: Glycine, N-(carboxymethyl)-N-(2-hydroxyethyl)-
Status: Active Update: 16-09-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/22258
Hazards SummaryIntraperitoneal LD50 (mouse) = 100 mg/kg; [RTECS] A skin and strong eye irritant; [Sigma-Aldrich MSDS] See Iminodiacetic acid,
Hazard Classes and CategoriesAcute Tox. 4 (57.9%)；Skin Corr. 1B (11.6%)；Skin Irrit. 2 (23.2%)；Eye Dam. 1 (64.7%)；Eye Irrit. 2 (23.7%)；STOT SE 3 (22.6%)
Regulatory information
Regulatory Information
Chemical: Glycine, N-(carboxymethyl)-N-(2-hydroxyethyl)-
Status: Active Update: 16-09-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/22258
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- AI1925000
- hs_code
- 29252900
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- REACH Registrations
- Active
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationGlycine, N-(carboxymethyl)-N-(2-hydroxyethyl)-: ACTIVE
Applications
UsesN-(2-Hydroxyethyl)iminodiacetic Acid (cas# 93-62-9) is a compound useful in organic synthesis.
General DescriptionN-(2-Hydroxyethyl)iminodiacetic acid (HEIDA) is a biodegradable and strong metal chelating agent, similar to nitrilotriacetic acid (NTA).
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
湖南韵邦生物科技股份有限公司85561037 15386497078 · [email protected]
上海摩睿化学科技有限公司13382110328 15255501563 · [email protected]
广州纳珑化工有限公司13192879270; 13192879270 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
清宁生物（江苏博泉生物科技有限公司）19352250998 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
江苏豪隆化工有限公司0513-89083520 13328092525 · [email protected]
山东信恒化工有限公司15269160602 15269160602
Ark Pharm, Inc.847-367-3680 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
湖北威德利化学试剂有限公司17771473825 13385289472 · [email protected]
武汉市聚舜化工有限公司027-02783261126 18971318572 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
南京诚亿化工有限公司025-57286088 13327733630
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
怀化市冰峰化工有限公司0745-2866851 17711757908 · [email protected]
上海钰康生物科技有限公司+86-18930848214 +86-021-56762820 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
山东信恒化工有限公司152-15269160605-0605 15269160605 · [email protected]
湖北健楚生物医药有限公司027-65528353 13554206703
天津希恩思生化科技有限公司400 638 7771 · [email protected]
湖南汇百侍生物科技有限公司0731-85526065 13308475853 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
武汉卡诺斯科技有限公司153-37111468 15337111468 · [email protected]
河南赢创生物科技有限公司15672878902 · [email protected]
湖北威德利化学试剂有限公司186-02735115 18602735115 · [email protected]
安徽科迪达化工有限公司0554-2106669 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
苏州朗行生物科技有限公司0512-62968256 18550502935 · [email protected]
湖南华腾制药有限公司400-8592883 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
康迪斯化工（湖北）有限公司13125172151 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
桦特昇生物科技（武汉）有限公司027-59207879 1972026995 18140587686 · [email protected]
佛山市贝司化工有限公司19584229548 15218144393 · [email protected]
上海昕凯医药科技有限公司21-619849051-1 18521059765 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
湖北威德利化学试剂有限公司18327179646 · [email protected]
湖北军瑞生物科技有限公司13971166412 · [email protected]
武汉峰耀同辉化学制品有限公司027-87466205 15377579727 · [email protected]
Additional notes
DefinitionChEBI: N-(2-hydroxyethyl)iminodiacetic acid is an amino dicarboxylic acid that is glycine in which both hydrogens attached to the nitrogen is substituted by a carboxymethyl group and a 2-hydroxyethyl group. It has a role as a chelator. It is an amino dicarboxylic acid and a glycine derivative. It is functionally related to an iminodiacetic acid, a propionic acid and an ethanolamine.
Related reactions
5 records
Linked notes
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