CAS RN: 1821-99-4

N,N’-bis(trimethylsilyl)ethylenediamine

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  • Product code: starshine_CAS1821-99-4
  • Purity/Analytical Methods: >99.0%
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1821-99-4 / N,N'-bis(trimethylsilyl)ethane-1,2-diamine

Standard CAS: 1821-99-4 Multi CAS: No

Basic Information

CAS
1821-99-4
Multi CAS
No
Molecular Formula
C8H24N2Si2
Molecular Weight
204.460000
Exact Mass
204.147802
SMILES
C[Si](C)(C)NCCN[Si](C)(C)C
InChI
InChI=1S/C8H24N2Si2/c1-11(2,3)9-7-8-10-12(4,5)6/h9-10H,7-8H2,1-6H3
InChIKey
AOZQTURTLIEFNQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
2
Molar refractivity
62.7
TPSA
24.06

LogP / Solubility

WLOGP
1.84
MLOGP
1.62
XLogP3
1.84
Consensus LogP
1.77
Log S (ESOL)
-1.93
Class (ESOL)
Soluble
Log S (Ali)
-2.56
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.11
Class (SILICOS-IT)
Poorly 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)
-2.66

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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