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[ CAS No. 49755-94-4 ] {[proInfo.proName]}

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Chemical Structure| 49755-94-4
Chemical Structure| 49755-94-4
Structure of 49755-94-4 * Storage: {[proInfo.prStorage]}

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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:
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