CAS RN: 144964-17-0

Benzyl-bis-trimethylsilanylmethylamine

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  • Product code: starshine_CAS144964-17-0
  • Purity/Analytical Methods: >99.0%
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144964-17-0 / 1-phenyl-N,N-bis(trimethylsilylmethyl)methanamine

Standard CAS: 144964-17-0 Multi CAS: No

Basic Information

CAS
144964-17-0
Multi CAS
No
Molecular Formula
C15H29NSi2
Molecular Weight
279.570000
Exact Mass
279.183853
SMILES
C[Si](C)(C)CN(CC1=CC=CC=C1)C[Si](C)(C)C
InChI
InChI=1S/C15H29NSi2/c1-17(2,3)13-16(14-18(4,5)6)12-15-10-8-7-9-11-15/h7-11H,12-14H2,1-6H3
InChIKey
BPSRTBHGLKFZDK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
6
H-bond acceptors
1
Molar refractivity
88.41
TPSA
3.24

LogP / Solubility

WLOGP
4.24
MLOGP
3.74
XLogP3
4.24
Consensus LogP
4.07
Log S (ESOL)
-4.1
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.92
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.72
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.41

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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