Basic information
- Standard SMILES
OCCOCCN1CCNCC1- InChIKey
FLNQAPQQAZVRDA-UHFFFAOYSA-N- Molecular formula
- C8H18N2O2
- Average molar mass
- 174.24 g/mol
- Monoisotopic mass
- 174.13682782
Overview
1-(2-(2-Hydroxyethoxy)ethyl)piperazine is a N-alkylpiperazine.
Names & identifiers
- Preferred name
- 1-[2-(2-Hydroxyethoxy)ethyl]piperazine
- IUPAC
- 2-(2-piperazin-1-ylethoxy)ethanol
- English name
- 1-Hydroxyethylethoxypiperazine
- Molecular formula
- C8H18N2O2
- Molecular weight
- 174.24
Names & synonyms
13349-82-11-[2-(2-Hydroxyethoxy)ethyl]piperazine1-(2-(2-Hydroxyethoxy)ethyl)piperazineUNII-WWT5E4KNO3WWT5E4KNO3n-hydroxyethoxyethylpiperazineDTXSID601581371-[2-(2-hydroxyethoxy)-ethyl]-piperazineEC 700-022-71-(2-(2-Hydroxyethoxy)-ethyl)-piperazineEC 603-746-01-(2-(2-Hydroxy ethoxy)ethyl)piperazine
Show more names
HEPHEEP2-(2-PIPERAZIN-1-YL-ETHOXY)-ETHANOLQuetiapine intermediateEPB6HEP crystal1-piperazidineHydroxyzine Impurity 1
1-[2-(2-hydroxy ethoxy)ethyl]piperazineRefChem:74024DTXCID4080628FLNQAPQQAZVRDA-UHFFFAOYSA-N2-(2-(Piperazin-1-yl)ethoxy)ethanol2-(2-piperazin-1-ylethoxy)ethanol2-[2-(1-Piperazinyl)ethoxy]ethanolMFCD00074931
Database identifiers
- CAS
13349-82-1- PubChem CID
- 139436
- DTXSID
DTXSID60158137- ChEBI
CHEBI:151027- UNII
- WWT5E4KNO3
- EC Number
- 603-746-0、700-022-7
- Nikkaji
- J68.145H
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 44.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 105
Physicochemical properties
- Boiling point
- 112 · 112-114 °C0.25 mm Hg(lit.)
- Density
- 1.061 g/mL · 1.061 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.497(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- Acetone (Slightly), Chloroform (Slightly), Methanol (Slightly)
- form
- Liquid
- pka
- 14.41 · 14.41±0.10(Predicted)
- Specific Gravity
- 1.061 · 1.061
- color
- Clear colorless to yellow-brownish
- InChI
- InChI=1S/C8H18N2O2/c11-6-8-12-7-5-10-3-1-9-2-4-10/h9,11H,1-8H2
- InChIKey
- FLNQAPQQAZVRDA-UHFFFAOYSA-N
- SMILES
- C(O)COCCN1CCNCC1
- CAS DataBase Reference
- 13349 · 13349-82-1(CAS DataBase Reference)
- FDA UNII
- 5 E4KNO3 · WWT5E4KNO3
- NIST Chemistry Reference
- 1 · 1-(2-(2-Hydroxyethoxy)ethyl)piperazine(13349-82-1)
- UNSPSC Code
- 12352100 · 12352100
- 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
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-37/39
- WGK Germany
- 3 · 3
- HazardClass
- IRRITANT
- HS Code
- 29335990 · 29335990
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 0.9% (1 of 114) of reports.
H412 (91.2%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 114 reports by companies from 6 notifications to the ECHA C&L Inventory.
This chemical does not meet GHS hazard criteria for 2.2% (1 of 46) of reports.
Warning
Hazard information
Regulatory Information
Status: Active Update: 17-06-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/7846
Status: Active Update: 18-01-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/13378
Hazard Classes and Categories
Aquatic Chronic 3 (91.2%)
Skin Irrit. 2 (97.8%)
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- hs_code
- 29335990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- hazard_class
- IRRITANT
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses1-[2-(2-Hydroxyethoxy)ethyl]piperazine may be used in chemical synthesis.
UsesQuetiapine intermediate
Upstream & downstream products
Upstream raw materials
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]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
上海德默医药科技有限公司400-021-7337 2355568890 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
常州市淇奥化工有限公司0519-85607258
青岛司臣生物科技有限公司0532-85625977 13668866880 · [email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
上海景颜化工科技有限公司13817811078 · [email protected]
嘉兴市艾森化工有限公司0573-85285100 18627885956 · [email protected]
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
上海泰坦科技股份有限公司400-6009262 15618770481 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
孝感深远化工有限公司15527621225; 15527621225 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
北京伊诺凯科技有限公司400-810-7969 010-59572699 · [email protected]
上海特伯化学科技有限公司+86-21-60341587 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
上海睿升化工科技有限公司+86-021-50935922
HBCChem, Inc.+1-510-219-6317 · [email protected]
雷丁试剂0510-85629785 18013409632 · [email protected]
上海御略医药科技有限公司021-60345187 13671753212 · [email protected]
天津安浩生物科技有限公司[email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
杭州拉凯生物技术有限公司0571-86403260 86403970 · [email protected]
上海孚一生物科技有限公司+86 (21) 61124340
凯试（上海）科技有限公司021-50135380 · [email protected]
池州凯隆进出口贸易有限公司[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]
Accela ChemBio Inc.+1(858) 699-3322 · [email protected]
上海裕英生物医药科技有限公司021-50158063 · [email protected]
斯派螺（武汉）药物研发有限公司[email protected]
成都瑞欧克科技有限公司028-64353063 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
成都润泽本土化工有限公司028-88469284 18000562381 · [email protected]
Additional notes
DefinitionChEBI: 1-(2-(2-Hydroxyethoxy)ethyl)piperazine is a N-alkylpiperazine.
Related reactions
43 records
Linked notes
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