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CAS 186598-40-3 DI(T-BUTYLAMINO)SILANE molecular structure lightbox
CAS RN: 186598-40-3

DI(T-BUTYLAMINO)SILANE

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  • Product code: starshine_CAS186598-40-3
  • Purity/Analytical Methods: >99.0%
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186598-40-3 / DI(T-BUTYLAMINO)SILANE

Standard CAS: 186598-40-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
186598-40-3
Multi CAS
No
Molecular Formula
C8H20N2Si
Molecular Weight
172.340000
Exact Mass
172.139575
SMILES
CC(C)(C)N[Si]NC(C)(C)C
InChI
InChI=1S/C8H20N2Si/c1-7(2,3)9-11-10-8(4,5)6/h9-10H,1-6H3
InChIKey
PHUNDLUSWHZQPF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
51.53
TPSA
24.06

LogP / Solubility

WLOGP
1.3
MLOGP
1.14
XLogP3
1.3
Consensus LogP
1.25
Log S (ESOL)
-1.59
Class (ESOL)
Soluble
Log S (Ali)
-1.91
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.1
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)
-2.85

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 Corrosive Acute Toxic Irritant
Signal
Danger
GHS Hazard Statements
H225 (59.1%): Highly Flammable liquid and vapor [Danger Flammable liquids] H226 (40.9%): Flammable liquid and vapor [Warning Flammable liquids] H260 (66.7%): In contact with water releases flammable gases which may ignite spontaneously [Danger Substances and mixtures which in contact with water, emit flammable gases] H261 (33.3%): In contact with water releases flammable gas [Danger Substances and mixtures which in contact with water, emit flammable gases] H301 (36.4%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement Codes
P210, P223, P231+P232, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P330+P331, P302+P335+P334, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P370+P378, P402+P404, P403+P233, P403+P235, P405, and P501

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