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CAS 1260092-46-3 tert-Butyl 3-(2-Aminoethoxy)propanoate molecular structure lightbox
CAS RN: 1260092-46-3

tert-Butyl 3-(2-Aminoethoxy)propanoate

  • Product code: SSC-031515
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 10g, 25g, 0.25g, 5g, 100g
  • Available purity: >97%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1260092-46-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 5 In Stock Beijing Inquiry
10g >97% 5 In Stock Shanghai Inquiry
25g >97% 5 In Stock Hong Kong Inquiry
0.25g >97% 4 In Stock Shanghai Inquiry
5g >97% 3 In Stock Hong Kong Inquiry
100g >97% 0 Out of Stock Hong Kong Inquiry

1260092-46-3 / tert-butyl 3-(2-aminoethoxy)propanoate

Standard CAS: 1260092-46-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1260092-46-3
Multi CAS
No
Molecular Formula
C9H19NO3
Molecular Weight
189.250000
Exact Mass
189.136493
SMILES
CC(C)(C)OC(=O)CCOCCN
InChI
InChI=1S/C9H19NO3/c1-9(2,3)13-8(11)4-6-12-7-5-10/h4-7,10H2,1-3H3
InChIKey
NSCCYXHEZRMPPH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.89
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
1
Molar refractivity
50.34
TPSA
61.55

LogP / Solubility

WLOGP
0.69
MLOGP
0.61
XLogP3
-0.1
Consensus LogP
0.4
Log S (ESOL)
-1.12
Class (ESOL)
Soluble
Log S (Ali)
-1.61
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.07
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)
-3.38

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
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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