O-[2-(tert-Butoxy)ethyl]hydroxylamine

Cat. No.: PI1023742133

Product Details Other Identifiers Computed Properties

CAS	1023742-13-3
Purity	97%
Molecular Formula	C6H15NO2
Molecular Weight	133.19
Molar Refractivity	35.87

Pubchem ID	46856370
InChI Key	MDJSCHZIEVAKHQ-UHFFFAOYSA-N
MDL Number	MFCD09951924

Hydrogen Bond Donor Count	1.0
Hydrogen Bond Acceptor Count	3.0
Rotatable Bond Count	4
Topological Polar Surface Area	44.48 Å²
Heavy Atom Count	9
Aromatic Heavy Atoms Number	0
Fraction Csp3	1.0
Log Po/w (iLOGP)	1.62
Log Po/w (XLOGP3)	0.17
Log Po/w (WLOGP)	0.69
Log Po/w (MLOGP)	0.54
Log Po/w (SILICOS-IT)	0.01
Consensus Log Po/w	0.6
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	No
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-6.99 cm/s
Lipinski	0.0
Ghose	None
Veber	0.0
Egan	0.0
Muegge	1.0
Bioavailability Score	0.55
PAINS	0.0 alert
Brenk	1.0 alert
Leadlikeness	1.0
Synthetic Accessibility	2.54

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