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[ CAS No. 1118-68-9 ] {[proInfo.proName]}

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Chemical Structure| 1118-68-9
Chemical Structure| 1118-68-9
Structure of 1118-68-9 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 1118-68-9 ]

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Product Details of [ 1118-68-9 ]

CAS No. :1118-68-9 MDL No. :MFCD00004283
Formula : C4H9NO2 Boiling Point : -
Linear Structure Formula :HN(CH3)2CH2COO InChI Key :FFDGPVCHZBVARC-UHFFFAOYSA-N
M.W : 103.12 Pubchem ID :673
Synonyms :
Dimethylglycine;DMG;N,N-Dimethylglycine
Chemical Name :2-(Dimethylamino)acetic acid

Calculated chemistry of [ 1118-68-9 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 7
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.75
Num. rotatable bonds : 2
Num. H-bond acceptors : 3.0
Num. H-bond donors : 1.0
Molar Refractivity : 26.01
TPSA : 40.54 ?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) : -9.0 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.0
Log Po/w (XLOGP3) : -2.91
Log Po/w (WLOGP) : -0.37
Log Po/w (MLOGP) : -0.39
Log Po/w (SILICOS-IT) : -0.94
Consensus Log Po/w : -0.72

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 3.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : 1.49
Solubility : 3160.0 mg/ml ; 30.6 mol/l
Class : Highly soluble
Log S (Ali) : 2.62
Solubility : 42700.0 mg/ml ; 414.0 mol/l
Class : Highly soluble
Log S (SILICOS-IT) : 0.3
Solubility : 208.0 mg/ml ; 2.01 mol/l
Class : Soluble

Medicinal Chemistry

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

Safety of [ 1118-68-9 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P280-P305+P351+P338 UN#:N/A
Hazard Statements:H302 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 1118-68-9 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 1118-68-9 ]

[ 1118-68-9 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 1118-68-9 ]
  • [ 349-58-6 ]
  • 3,5-bis(trifluoromethyl)phenyl dimethylglycinate hydrochloride [ No CAS ]
  • 2
  • [ 1118-68-9 ]
  • [ 198904-31-3 ]
  • (5S,10S,11S,14S)-11-benzyl-5,14-di-tert-butyl-3,6,13,16-tetraoxo-8-(4-(pyridin-2-yl)benzyl)-2,17-dioxa-4,7,8,12,15-pentaazaoctadecan-10-yl 2-(dimethylamino)acetate [ No CAS ]
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