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Phosphinic acid, dimorpholino-, phenyl ester

HCID 78591
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Basic informationNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
4881-17-8
Standard SMILES
O=P(Oc1ccccc1)(N1CCOCC1)N1CCOCC1
InChIKey
ARRSANOSOGNTIJ-UHFFFAOYSA-N
Molecular formula
C14H21N2O4P
Average molar mass
312.3 g/mol
Monoisotopic mass
312.12389415

Names & identifiers

Preferred name
Phosphinic acid, dimorpholino-, phenyl ester
IUPAC
4-[morpholin-4-yl(phenoxy)phosphoryl]morpholine
English name
4-(morpholin-4-yl-phenoxy-phosphoryl)morpholine
Molecular formula
C14H21N2O4P
Molecular weight
312.3

Names & synonyms

Phosphinic acid, dimorpholino-, phenyl ester4881-17-8Dimorpholinophosphinic acid phenyl esterS4DNS88VQPPhosphinic acid, di-4-morpholinyl-Phosphinic acid, di-4-morpholinyl-, phenyl esterNSC-41249DTXSID10197612RefChem:1095112DTXCID70120103phenyl dimorpholin-4-ylphosphinate4-[morpholin-4-yl(phenoxy)phosphoryl]morpholine
Show more names
Phenyl=dimorpholinophosphinate4-(morpholin-4-yl-phenoxy-phosphoryl)morpholinePhosphinic acid, P,P-di-4-morpholinyl-, phenyl ester
MLS002608302NSC 412494-(MORPHOLIN-4-YL(PHENOXY)PHOSPHORYL)MORPHOLINEBRN 0308585AI3-19645UNII-S4DNS88VQPPHENYL BIS(MORPHOLIN-4-YL)PHOSPHINATEOprea1_855740

Database identifiers

CAS
4881-17-8
PubChem CID
78591
DTXSID
DTXSID10197612
ChEMBL
CHEMBL1900937
UNII
S4DNS88VQP

Properties

Computed structural properties

XLogP
1
Topological polar surface area
51.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
21
Formal charge
0
Complexity
342

Physicochemical properties

Boiling point
150.5 °C · 150.5°C
Density
1.29 · 1.29±0.1 g/cm3(Predicted)
pka
-1.41 · -1.41±0.20(Predicted)
FDA UNII
4 DNS88VQP · S4DNS88VQP

Chemistry & industry

Suppliers2 total

Shanxi Xuanran Import and Export Trade Co., Ltd.+8617735180244 · [email protected]
上海楷迩文生化科技有限公司021-50790412 · [email protected]

Related reactions

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Compound notes

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On this pageBasic informationNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes
Nikkaji
J50.254E