CAS RN: 180335-73-3

TRIS(DIMETHYLAMINO)GALLANE DIMER

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  • Product code: starshine_CAS180335-73-3
  • Purity/Analytical Methods: >99.0%
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180335-73-3 / gallium tris(dimethylazanide)

Standard CAS: 180335-73-3 Multi CAS: No

Basic Information

CAS
180335-73-3
Multi CAS
No
Molecular Formula
C6H18GaN3
Molecular Weight
201.950000
Exact Mass
201.075650
SMILES
C[N-]C.C[N-]C.C[N-]C.[Ga+3]
InChI
InChI=1S/3C2H6N.Ga/c3*1-3-2;/h3*1-2H3;/q3*-1;+3
InChIKey
ZRXBTFLOBMVHAY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
H-bond acceptors
3
Molar refractivity
51.38
TPSA
42.3

LogP / Solubility

WLOGP
1.48
MLOGP
1.3
XLogP3
1.48
Consensus LogP
1.42
Log S (ESOL)
-2.02
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.28
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.2
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.9

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Flammable Corrosive
Signal
Danger
GHS Hazard Statements
H228 (100%): Flammable solid [Danger Flammable solids] H261 (50%): In contact with water releases flammable gas [Danger Substances and mixtures which in contact with water, emit flammable gases] H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P210, P231+P232, P240, P241, P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P402+P404, P405, and P501

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