4319-49-7 N-Aminomorpholine

Introduction

CAS No. :	4319-49-7	MDL No. :	MFCD00006174
Formula :	C4H10N2O	Boiling Point :	-
Linear Structure Formula :	H2NN(CH2)4O	InChI Key :	MKQLBNJQQZRQJU-UHFFFAOYSA-N
M.W :	102.14	Pubchem ID :	20315
Synonyms :

Physicochemical Properties

Num. heavy atoms :	7
Num. arom. heavy atoms :	0
Fraction Csp3 :	1.0
Num. rotatable bonds :	0
Num. H-bond acceptors :	3.0
Num. H-bond donors :	1.0
Molar Refractivity :	29.83
TPSA :	38.49 Ų

Pharmacokinetics

GI absorption :	Low
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-7.69 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.15
Log Po/w (XLOGP3) :	-1.08
Log Po/w (WLOGP) :	-1.19
Log Po/w (MLOGP) :	-0.64
Log Po/w (SILICOS-IT) :	-0.15
Consensus Log Po/w :	-0.38

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	2.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	0.21
Solubility :	165.0 mg/ml ; 1.61 mol/l
Class :	Highly soluble
Log S (Ali) :	0.76
Solubility :	589.0 mg/ml ; 5.77 mol/l
Class :	Highly soluble
Log S (SILICOS-IT) :	0.37
Solubility :	239.0 mg/ml ; 2.34 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.7

Signal Word:	Danger	Class:	3,8
Precautionary Statements:	P280-P305+P351+P338-P310	UN#:	2733
Hazard Statements:	H225-H302-H314	Packing Group:	Ⅲ
GHS Pictogram:

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