Basic information
- CAS
39890-46-5- Standard SMILES
O=C(CN1CCNCC1)N1CCOCC1- InChIKey
LISKJKUMLVQGKE-UHFFFAOYSA-N- Molecular formula
- C10H19N3O2
- Average molar mass
- 213.28 g/mol
- Monoisotopic mass
- 213.14772685
Names & identifiers
- Preferred name
- 1-(Morpholinocarbonylmethyl)piperazine
- IUPAC
- 1-morpholin-4-yl-2-piperazin-1-ylethanone
- English name
- 4-[2-(Piperazin-1-yl)-acetyl]-morpholine
- Molecular formula
- C10H19N3O2
- Molecular weight
- 213.28
Names & synonyms
1-(Morpholinocarbonylmethyl)piperazine5HVU6A9LQBEINECS 254-679-5NSC-332546DTXSID30192927NSC 332546RefChem:428040DTXCID70115418254-679-539890-46-51-Morpholino-2-(piperazin-1-yl)ethanone4-[2-(Piperazin-1-Yl)-Acetyl]-Morpholine
Show more names
N-PIPERAZINEACETIC ACID MORPHOLINE AMIDETIMTEC-BB SBB005546RARECHEM AH CK 0168Piperazinoacetic acid-morpholidPIPERAZINOACETIC ACID-MORPHOLIDEPIPERAZINE ACETIC ACID MORPHOLIDE4-(1-Piperazinylacetyl)morpholine4-[2-(Piperazin-1-yl)-acetyl]-morph1-(4-MORPHOLIDO)-2-PIPERAZINOETHANONE
MFCD000061721-(morpholin-4-yl)-2-(piperazin-1-yl)ethan-1-one1-(morpholin-4-yl)-2-(piperazin-1-yl)ethanone1-morpholin-4-yl-2-piperazin-1-ylethanoneMLS003170818Ethanone, 1-(4-morpholinyl)-2-(1-piperazinyl)-4-[2-(Piperazin-1-yl)acetyl]morpholine4-(piperazin-1-ylacetyl)morpholine
Database identifiers
- CAS
39890-46-5- PubChem CID
- 100622
- DTXSID
DTXSID30192927- ChEMBL
CHEMBL2134305- UNII
- 5HVU6A9LQB
- EC Number
- 254-679-5
- Nikkaji
- J236.389E
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 211
Physicochemical properties
- Melting point
- 63 °C · 63 °C
- Boiling point
- 389.6 · 389.6±42.0 °C(Predicted)
- Density
- 1.126 · 1.126±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- form
- Solid
- pka
- 8.95 · 8.95±0.10(Predicted)
- CAS DataBase Reference
- 39890 · 39890-46-5(CAS DataBase Reference)
- FDA UNII
- 5 HVU6A9LQB · 5HVU6A9LQB
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H315-H318-H335
- Precautionary statements
- 261 · P261-P264-P280-P301+P312-P302+P352-P305+P351+P338
- Hazard Codes
- Xi,Xn
- Risk Statements
- 36 · 36/37/38-41-37/38-22
- Safety Statements
- 26 · 26-36-39
- HazardClass
- IRRITANT
- HS Code
- 2933599590 · 2933599590
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2933599590
- risk_code
- 36/37/38-41-37/38-22
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xi,Xn
- safety_code
- 26-36-39
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H318-H335
- Precautionary statements
- P261-P264-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Suppliers28 total
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海弘顺生物科技有限公司15901914505 · [email protected]
Aladdin Scientific[email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13376591640 · [email protected]
成都海品信医药科技有限公司85114309 18982182443 · [email protected]
南京精瑞久安生物技术有限公司025-58196018 800028039 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
Clearsynth Labs Limited+91-22-26355700 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
上海波以尔化工有限公司021-50182298 021-50180596 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
广东翁江化学试剂有限公司0751-2815688 13927872512 · [email protected]
山西诺诚生物科技有限公司17835231871 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318584237 · [email protected]
重庆卡兰医药有限公司[email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
广州安纳医药科技有限公司020-86211473 13925088720 · [email protected]
上海信旗医药科技有限公司+86-21-54098501 · [email protected]
Related reactions
75 records
Compound notes
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