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CAS 1000-70-0 Bis(trimethylsilyl)carbodiimide molecular structure lightbox
CAS RN: 1000-70-0

Bis(trimethylsilyl)carbodiimide

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250415 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: ICTB1368
  • Purity/Analytical Methods: >98.0%(GC)
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1000-70-0 / N,N'-bis(trimethylsilyl)methanediimine

Bis(trimethylsilyl)carbodiimide | 1000-70-0 | Silanamine, N,N'-methanetetraylbis[1,1,1-trimethyl-

Standard CAS: 1000-70-0 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1000-70-0
Multi CAS
Yes
Molecular Formula
C7H18N2Si2
Molecular Weight
186.400000
Exact Mass
186.100852
SMILES
C[Si](C)(C)N=C=N[Si](C)(C)C
InChI
InChI=1S/C7H18N2Si2/c1-10(2,3)8-7-9-11(4,5)6/h1-6H3
InChIKey
KSVMTHKYDGMXFJ-UHFFFAOYSA-N
Synonyms
Bis(trimethylsilyl)carbodiimide 1000-70-0 Silanamine, N,N'-methanetetraylbis[1,1,1-trimethyl- Silanamine, N,N'-methanetetraylbis(1,1,1-trimethyl- DTXSID0061379

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.86
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
56.56
TPSA
24.72

LogP / Solubility

WLOGP
2.83
MLOGP
2.49
XLogP3
2.83
Consensus LogP
2.72
Log S (ESOL)
-2.65
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.13
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.46
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)
-1.85

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Flammable Irritant
Signal
Danger
GHS Hazard Statements
H225 (86.7%): Highly Flammable liquid and vapor [Danger Flammable liquids] H226 (13.3%): Flammable liquid and vapor [Warning Flammable liquids] H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501

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