trimorpholin-4-yl borate

C12H24BN3O6 — CID 57215155

IUPACtrimorpholin-4-yl borate
SMILESC1CN(OB(ON2CCOCC2)ON2CCOCC2)CCO1
InChIInChI=1S/C12H24BN3O6/c1-7-17-8-2-14(1)20-13(21-15-3-9-18-10-4-15)22-16-5-11-19-12-6-16/h1-12H2
InChIKeyBJTFIWFLIANNEW-UHFFFAOYSA-N
MW317.15 g/mol
LogP-1.24
Rot. Bonds6

About trimorpholin-4-yl borate

trimorpholin-4-yl borate (PubChem CID 57215155) has the molecular formula C12H24BN3O6 and a molecular weight of 317.15 g/mol. Its IUPAC name is trimorpholin-4-yl borate.

Molecular Properties

Compound Nametrimorpholin-4-yl borate
PubChem CID57215155
Molecular FormulaC12H24BN3O6
Molecular Weight317.15 g/mol
Exact Mass317.18
IUPAC Nametrimorpholin-4-yl borate
SMILESC1CN(OB(ON2CCOCC2)ON2CCOCC2)CCO1
InChIInChI=1S/C12H24BN3O6/c1-7-17-8-2-14(1)20-13(21-15-3-9-18-10-4-15)22-16-5-11-19-12-6-16/h1-12H2
InChIKeyBJTFIWFLIANNEW-UHFFFAOYSA-N
XLogP-1.24
TPSA65.10 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.15
LogP ≤ 5-1.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

4-morpholin-4-yloxymorpholine;dihydrochloride
CID 174483627
4-(trioxidanyl)morpholine
CID 58031133
morpholin-4-yl nitrite
CID 57324165
morpholin-4-yl dihydrogen phosphate
CID 57078331
4-(1,1-difluoroethylsulfanylperoxy)morpholine
CID 88869793
4-[amino(chloro)phosphoryl]oxymorpholine
CID 126510145
N-morpholin-4-ylthiohydroxylamine;trihydrofluoride
CID 173110746
morpholin-4-ylphosphonous acid
CID 45122822
4-(1-morpholin-4-ylcyclopropyl)morpholine
CID 121219677
CID 135034340
CID 135034340
morpholin-4-ylazanide
CID 59315595
morpholin-4-yl N-morpholin-4-ylcarbamate
CID 57465870

Frequently Asked Questions

What is the IUPAC name of trimorpholin-4-yl borate?
The IUPAC name of trimorpholin-4-yl borate (CID 57215155) is trimorpholin-4-yl borate.
What is the SMILES notation for trimorpholin-4-yl borate?
The canonical SMILES for trimorpholin-4-yl borate is C1CN(OB(ON2CCOCC2)ON2CCOCC2)CCO1.
What is the InChIKey of trimorpholin-4-yl borate?
The InChIKey is BJTFIWFLIANNEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24BN3O6/c1-7-17-8-2-14(1)20-13(21-15-3-9-18-10-4-15)22-16-5-11-19-12-6-16/h1-12H2.
What are the key properties of trimorpholin-4-yl borate?
trimorpholin-4-yl borate has a molecular weight of 317.15 g/mol, XLogP of -1.24, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for trimorpholin-4-yl borate is sourced from PubChem (CID 57215155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).