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[ CAS No. 103765-03-3 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 103765-03-3
Chemical Structure| 103765-03-3
Structure of 103765-03-3 * Storage: {[proInfo.prStorage]}

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Product Details of [ 103765-03-3 ]

CAS No. :103765-03-3 MDL No. :MFCD09265126
Formula : C4H11ClN2O Boiling Point : No data available
Linear Structure Formula :- InChI Key :HDBMIDJFXOYCGK-AENDTGMFSA-N
M.W : 138.60 Pubchem ID :16218339
Synonyms :
Chemical Name :(R)-2-Aminobutanamide hydrochloride

Calculated chemistry of [ 103765-03-3 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 8
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.75
Num. rotatable bonds : 2
Num. H-bond acceptors : 2.0
Num. H-bond donors : 2.0
Molar Refractivity : 33.92
TPSA : 69.11 ?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) : -7.17 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : -0.04
Log Po/w (WLOGP) : 0.01
Log Po/w (MLOGP) : -0.39
Log Po/w (SILICOS-IT) : -0.97
Consensus Log Po/w : -0.28

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 2.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -0.54
Solubility : 39.8 mg/ml ; 0.287 mol/l
Class : Very soluble
Log S (Ali) : -0.96
Solubility : 15.2 mg/ml ; 0.109 mol/l
Class : Very soluble
Log S (SILICOS-IT) : 0.12
Solubility : 184.0 mg/ml ; 1.33 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.21

Safety of [ 103765-03-3 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P305+P351+P338 UN#:
Hazard Statements:H315-H319-H335 Packing Group:
GHS Pictogram:
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