1-Boc-1-methylhydrazine

Introduction

CAS No. :	21075-83-2	MDL No. :	MFCD05669700
Formula :	C6H14N2O2	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	IHMQNZFRFVYNDS-UHFFFAOYSA-N
M.W :	146.19	Pubchem ID :	3748280
Synonyms :

Physicochemical Properties

Num. heavy atoms :	10
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.83
Num. rotatable bonds :	3
Num. H-bond acceptors :	3.0
Num. H-bond donors :	1.0
Molar Refractivity :	38.27
TPSA :	55.56 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.93 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.85
Log Po/w (XLOGP3) :	0.37
Log Po/w (WLOGP) :	0.73
Log Po/w (MLOGP) :	0.76
Log Po/w (SILICOS-IT) :	-1.1
Consensus Log Po/w :	0.52

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	1.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-0.78
Solubility :	24.2 mg/ml ; 0.165 mol/l
Class :	Very soluble
Log S (Ali) :	-1.1
Solubility :	11.6 mg/ml ; 0.0791 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-0.12
Solubility :	110.0 mg/ml ; 0.753 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	2.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.94

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P501-P210-P280-P370+P378-P403+P235	UN#:	N/A
Hazard Statements:	H302-H227	Packing Group:	N/A
GHS Pictogram:

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