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CAS 113283-93-5 TERT-BUTYL 2-(ETHYLAMINO)ETHYLCARBAMATE molecular structure lightbox
CAS RN: 113283-93-5

TERT-BUTYL 2-(ETHYLAMINO)ETHYLCARBAMATE

  • Product code: SSC-013436
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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, 0.25g, 0.1g, 5g, 10g, 25g
  • Available purity: >97%
  • Inventory rows with stock: 6
  • 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 113283-93-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 4 In Stock Beijing Inquiry
0.25g >97% 2 In Stock Hong Kong Inquiry
0.1g >97% 1 In Stock Shenzhen Inquiry
5g >97% 1 In Stock Hong Kong Inquiry
10g >97% 1 In Stock Beijing Inquiry
25g >97% 1 In Stock Shenzhen Inquiry

113283-93-5 / tert-butyl N-[2-(ethylamino)ethyl]carbamate

tert-butyl N-[2-(ethylamino)ethyl]carbamate | tert-butyl N-(2-(ethylamino)ethyl)carbamate | RefChem:895561

Standard CAS: 113283-93-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
113283-93-5
Multi CAS
No
Molecular Formula
C9H20N2O2
Molecular Weight
188.270000
Exact Mass
188.152478
SMILES
CCNCCNC(=O)OC(C)(C)C
InChI
InChI=1S/C9H20N2O2/c1-5-10-6-7-11-8(12)13-9(2,3)4/h10H,5-7H2,1-4H3,(H,11,12)
InChIKey
JMIGZQVLLZKDIS-UHFFFAOYSA-N
Synonyms
tert-butyl N-[2-(ethylamino)ethyl]carbamate tert-butyl N-(2-(ethylamino)ethyl)carbamate RefChem:895561 819-592-4 1-(Boc-amino)-2-(ethylamino)ethane

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.89
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
52.78
TPSA
50.36

LogP / Solubility

WLOGP
1.12
MLOGP
0.98
XLogP3
0.9
Consensus LogP
1
Log S (ESOL)
-1.45
Class (ESOL)
Soluble
Log S (Ali)
-1.91
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.29
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)
-3.07

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)
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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