Free release
admin

product 

HOME product Text
O-(Carboxymethyl)hydroxylamine hemihydrochloride

O-(Carboxymethyl)hydroxylamine hemihydrochloride

CAS No. :2921-14-4MDL No. :MFCD00012955Formula :C4H11ClN2O6Boiling Point :-Linear Structure Formula :-InChI Key :KBXIJIP

Sales：Service@apichina.com
CAS No. :2921-14-4 Brand :Qitai
Formula :C4H11ClN2O6 M.W :218.59

Introduction

CAS No. :2921-14-4 MDL No. :MFCD00012955
Formula : C4H11ClN2O6 Boiling Point : -
Linear Structure Formula :- InChI Key :KBXIJIPYZKPDRU-UHFFFAOYSA-N
M.W : 218.59 Pubchem ID :2723609
Synonyms :
Carboxymethoxylamine hemihydrochloride;Aminooxyacetate hemihydrochloride;Aminooxyacetate;Aminooxyacetic Acid (hydrochloride);AOAA hemihydrochloride;AOA hemihydrochloride
Chemical Name :O-(Carboxymethyl)hydroxylamine hemihydrochloride

Physicochemical Properties

Num. heavy atoms : 13
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.5
Num. rotatable bonds : 4
Num. H-bond acceptors : 8.0
Num. H-bond donors : 4.0
Molar Refractivity : 41.55
TPSA : 145.1 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) : -11.83 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : -5.91
Log Po/w (WLOGP) : -1.28
Log Po/w (MLOGP) : -1.74
Log Po/w (SILICOS-IT) : -1.22
Consensus Log Po/w : -2.03

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 1.0
Egan : 1.0
Muegge : 2.0
Bioavailability Score : 0.56

Water Solubility

Log S (ESOL) : 2.79
Solubility : 135000.0 mg/ml ; 619.0 mol/l
Class : Highly soluble
Log S (Ali) : 3.53
Solubility : 748000.0 mg/ml ; 3420.0 mol/l
Class : Highly soluble
Log S (SILICOS-IT) : 1.05
Solubility : 2480.0 mg/ml ; 11.4 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.3
Signal Word:Warning Class:N/A
Precautionary Statements:P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313 UN#:N/A
Hazard Statements:H315-H319 Packing Group:N/A
GHS Pictogram:

Related View all