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CAS 18166-02-4 (Trimethylsilyl)methylamine molecular structure lightbox
CAS RN: 18166-02-4

(Trimethylsilyl)methylamine

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  • Product code: starshine_CAS18166-02-4
  • Purity/Analytical Methods: >99.0%
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18166-02-4 / trimethylsilylmethanamine

Standard CAS: 18166-02-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
18166-02-4
Multi CAS
No
Molecular Formula
C4H13NSi
Molecular Weight
103.240000
Exact Mass
103.081726
SMILES
C[Si](C)(C)CN
InChI
InChI=1S/C4H13NSi/c1-6(2,3)4-5/h4-5H2,1-3H3
InChIKey
YVWPNDBYAAEZBF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
32.4
TPSA
26.02

LogP / Solubility

WLOGP
0.82
MLOGP
0.71
XLogP3
0.82
Consensus LogP
0.78
Log S (ESOL)
-0.93
Class (ESOL)
Very soluble
Log S (Ali)
-1
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.13
Class (SILICOS-IT)
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)
-2.77

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
Signal
Danger
GHS Hazard Statements
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids] H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501

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