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CAS 115306-75-7 3-(tert-Butyldimethylsilyloxy)propan-1-amine molecular structure lightbox
CAS RN: 115306-75-7

3-(tert-Butyldimethylsilyloxy)propan-1-amine

  • Product code: SSC-015062
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ≥97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 115306-75-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 0 Out of Stock Shanghai Inquiry

115306-75-7 / 3-[tert-butyl(dimethyl)silyl]oxypropan-1-amine

(3-AMINOPROPOXY)(TERT-BUTYL)DIMETHYLSILANE | RefChem:399900 | 836-094-2

Standard CAS: 115306-75-7 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
115306-75-7
Multi CAS
Yes
Molecular Formula
C9H23NOSi
Molecular Weight
189.370000
Exact Mass
189.154891
SMILES
CC(C)(C)[Si](C)(C)OCCCN
InChI
InChI=1S/C9H23NOSi/c1-9(2,3)12(4,5)11-8-6-7-10/h6-8,10H2,1-5H3
InChIKey
LNSJAAYIGOFKTA-UHFFFAOYSA-N
Synonyms
(3-AMINOPROPOXY)(TERT-BUTYL)DIMETHYLSILANE RefChem:399900 836-094-2 3-(tert-butyldimethylsilyloxy)propan-1-amine 1-Propanamine, 3-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
56.82
TPSA
35.25

LogP / Solubility

WLOGP
2.36
MLOGP
2.07
XLogP3
2.36
Consensus LogP
2.26
Log S (ESOL)
-2.24
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.81
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.33
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)
-2.2

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)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H314 (66.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (33.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501

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