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[ CAS No. 6638-79-5 ] {[proInfo.proName]}

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Chemical Structure| 6638-79-5
Chemical Structure| 6638-79-5
Structure of 6638-79-5 * Storage: {[proInfo.prStorage]}

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Product Details of [ 6638-79-5 ]

CAS No. :6638-79-5 MDL No. :MFCD00012485
Formula : C2H8ClNO Boiling Point : -
Linear Structure Formula :(CH3)(OCH3)NH·HCl InChI Key :USZLCYNVCCDPLQ-UHFFFAOYSA-N
M.W : 97.54 Pubchem ID :81138
Synonyms :
Chemical Name :N,O-Dimethylhydroxylamine hydrochloride

Calculated chemistry of [ 6638-79-5 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 5
Num. arom. heavy atoms : 0
Fraction Csp3 : 1.0
Num. rotatable bonds : 1
Num. H-bond acceptors : 2.0
Num. H-bond donors : 1.0
Molar Refractivity : 21.47
TPSA : 21.26 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) : -6.44 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 0.64
Log Po/w (WLOGP) : -3.12
Log Po/w (MLOGP) : 0.18
Log Po/w (SILICOS-IT) : -0.66
Consensus Log Po/w : -0.59

Druglikeness

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

Water Solubility

Log S (ESOL) : -0.78
Solubility : 16.1 mg/ml ; 0.165 mol/l
Class : Very soluble
Log S (Ali) : -0.66
Solubility : 21.3 mg/ml ; 0.218 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -0.28
Solubility : 51.8 mg/ml ; 0.531 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.31

Safety of [ 6638-79-5 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P264-P271-P280-P302+P352-P305+P351+P338 UN#:N/A
Hazard Statements:H315-H319-H335 Packing Group:N/A
GHS Pictogram:
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