Basic information
- Standard SMILES
Nc1ccc(N2CCOCC2=O)cc1- InChIKey
MHCRLDZZHOVFEE-UHFFFAOYSA-N- Molecular formula
- C10H12N2O2
- Average molar mass
- 192.21 g/mol
- Monoisotopic mass
- 192.08987762
Names & identifiers
- Preferred name
- 4-(4-Aminophenyl)morpholin-3-one
- IUPAC
- 4-(4-aminophenyl)morpholin-3-one
- English name
- 4-(4-AMINOPHENYL)MORPHOLIN-3-ONE
- Molecular formula
- C10H12N2O2
- Molecular weight
- 192.21
Names & synonyms
4-(4-aminophenyl)morpholin-3-one438056-69-0DTXSID90458314RefChem:513837DTXCID80409133610-147-84-(4-aminophenyl)-3-Morpholinone3-Morpholinone, 4-(4-aminophenyl)-MFCD08236742C10H12N2O2Rivaroxaban Impurity 64H6N2PY6WST
Show more names
Rivaroxaban InterMediate4-(4-AMINO PHENYL)MORPHOLINE-3-ONE4-(4-aMinophenyl)Morpholine-3- ketonein-3-one2-Amino-11-picoline4-(4-aminophenyl)morRivaroxaban Impurity 37Rivaroxaban intermdiateAminophenylmorpholinone
4-(3-Oxomorpholino)aniline4-(3-OXO-4-MORPHOLINYL)ANILINE4-(4-Morpholin-3-onyl)anilineN-(4-Aminophenyl)-3-morpholinone4-(4-aminophenyl) morpholin-3-oneAKOS006284751AC-2721HE-0208
Database identifiers
- CAS
438056-69-0- PubChem CID
- 11194854
- DTXSID
DTXSID90458314- UNII
- H6N2PY6WST
- EC Number
- 610-147-8
- Nikkaji
- J2.551.238C
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 55.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 212
Physicochemical properties
- Melting point
- 171 to · 171.0 to 175.0 °C
- Boiling point
- 502.3 · 502.3±45.0 °C(Predicted)
- Density
- 1.268 · 1.268
- vapor pressure
- 0 Pa · 0Pa at 25℃
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- DMSO (Slightly), Methanol (Slightly, Heated)
- form
- Solid
- pka
- 4.85 · 4.85±0.10(Predicted)
- color
- White to Light Brown
- Water Solubility
- 16.6 g/L · 16.6g/L at 20℃
- Major Application
- pharmaceutical
- InChI
- InChI=1S/C10H12N2O2/c11-8-1-3-9(4-2-8)12-5-6-14-7-10(12)13/h1-4H,5-7,11H2
- InChIKey
- MHCRLDZZHOVFEE-UHFFFAOYSA-N
- SMILES
- N1(C2=CC=C(N)C=C2)CCOCC1=O
- LogP
- -0.8 at · -0.8 at 25℃
- CAS DataBase Reference
- 438056 · 438056-69-0
- FDA UNII
- 6 N2PY6WST · H6N2PY6WST
- UNSPSC Code
- 41116100 · 41116100
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
- Safety Statements
- 24 · 24/25
- WGK Germany
- 3 · WGK 3
- HazardClass
- IRRITANT
- HS Code
- 29349990 · 29349990
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 3 · Aquatic Chronic 3
- REACH Registrations
- Inactive
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (24%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 25 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationStatus: Cease Manufacture Update: 06-02-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/6284
Hazard Classes and CategoriesSkin Irrit. 2 (24%)
Safety data
- wgk
- WGK 3
- hs_code
- 29349990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319
- REACH Registrations
- Inactive
- Hazard Classifications
- Aquatic Chronic 3
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Applications
Uses4-(4-AMINOPHENYL)MORPHOLIN-3-ONE is used in the preparation of various Morpholine based pharmaceuticals.
UsesRivaroxaban 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]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
爱斯特(成都)生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
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韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
安庆百谊生物科技有限公司0556-5032306 18917961636
安耐吉化学&3A(安徽泽升科技股份有限公司)400-0056266 · [email protected]
上海恩诺生物科技有限公司+86 (21) 6435-5022
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安徽联创生物医药股份有限公司0551-68779238 18056025720 · [email protected]
济南德信佳生物科技有限公司0531-82375886 13001715031 · [email protected]
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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]
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TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
武汉信嘉和诚药物化学有限公司+86-027-87166955 · [email protected] [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
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峨眉山鸿森生物医药股份有限公司0833-6186278 19162541913 · [email protected]
上海偕腾生物科技有限公司+86-021-58975553 · [email protected]
上海蒙佳纳化工有限公司+86-21-38682181 15900741819
上海卓锐化工有限公司021-69180038
Shanghai Witofly Chemical Co.,Ltd[email protected]
越林试剂021-62960152 · [email protected]
上海睿升化工科技有限公司+86-021-50935922
青岛君之道生物技术有限公司0532-87118899 · [email protected]
沧州那瑞化学科技有限公司+86-317-3563899 · [email protected]
济南铭雅医药科技有限公司0531-85828981 · [email protected]
Xunteng International Trading Co.,Limited—
重庆卡兰医药有限公司023-62879767 · [email protected]
苏州丽品化学有限公司0512-0512-67509664 19888480046
北京阳光福润科技有限公司010-57495520 13521095525 · [email protected]
Related reactions
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