Alternatived Products of [ 49755-94-4 ]
Product Details of [ 49755-94-4 ]
CAS No. : | 49755-94-4 |
MDL No. : | MFCD00153440 |
Formula : |
C3H9ClN2O
|
Boiling Point : |
No data available |
Linear Structure Formula : | - |
InChI Key : | ZYZNZBKTJDYJKQ-UHFFFAOYSA-N |
M.W : |
124.57
|
Pubchem ID : | 13842202 |
Synonyms : |
|
Chemical Name : | 2-Amino-N-methylacetamide hydrochloride |
Calculated chemistry of [ 49755-94-4 ] Expand+
Physicochemical Properties
Num. heavy atoms : |
7 |
Num. arom. heavy atoms : |
0 |
Fraction Csp3 : |
0.67 |
Num. rotatable bonds : |
2 |
Num. H-bond acceptors : |
2.0 |
Num. H-bond donors : |
2.0 |
Molar Refractivity : |
29.21 |
TPSA : |
55.12 ?2 |
Pharmacokinetics
GI absorption : |
High |
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) : |
-7.46 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
0.0 |
Log Po/w (XLOGP3) : |
-0.57 |
Log Po/w (WLOGP) : |
-0.51 |
Log Po/w (MLOGP) : |
-0.8 |
Log Po/w (SILICOS-IT) : |
-1.04 |
Consensus Log Po/w : |
-0.58 |
Druglikeness
Lipinski : |
0.0 |
Ghose : |
None |
Veber : |
0.0 |
Egan : |
0.0 |
Muegge : |
2.0 |
Bioavailability Score : |
0.55 |
Water Solubility
Log S (ESOL) : |
-0.12 |
Solubility : |
94.2 mg/ml ; 0.756 mol/l |
Class : |
Very soluble |
Log S (Ali) : |
-0.12 |
Solubility : |
95.1 mg/ml ; 0.763 mol/l |
Class : |
Very soluble |
Log S (SILICOS-IT) : |
-0.21 |
Solubility : |
76.5 mg/ml ; 0.614 mol/l |
Class : |
Soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
0.0 alert |
Leadlikeness : |
1.0 |
Synthetic accessibility : |
1.0 |
Safety of [ 49755-94-4 ]
Signal Word: | Warning |
Class: | |
Precautionary Statements: | P280-P305+P351+P338 |
UN#: | |
Hazard Statements: | H302 |
Packing Group: | |
GHS Pictogram: |
|