CAS RN: 146394-99-2
Carbamic acid, (4-amino-2-butenyl)-, 1,1-dimethylethyl ester, (E)- (9CI)
Product Availability
Choose a grade to view its available package options.
6 package records4 with current stock1 grade group
- Product code: SSC-057446
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, 5g, 0.1g, 0.25g, 10g, 25g, 100g
- Available purity: ≥95%
- Inventory rows with stock: 5
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 5 In Stock | Shanghai | Inquiry |
| 5g | ≥95% | 2 In Stock | Beijing | Inquiry |
| 0.1g | ≥95% | 1 In Stock | Shanghai | Inquiry |
| 0.25g | ≥95% | 1 In Stock | Hong Kong | Inquiry |
| 10g | ≥95% | 1 In Stock | Shenzhen | Inquiry |
| 25g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
| 100g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
146394-99-2 / tert-butyl N-[(E)-4-aminobut-2-enyl]carbamate
Basic Information
CAS
146394-99-2
Multi CAS
No
Molecular Formula
C9H18N2O2
Molecular Weight
186.250000
Exact Mass
186.136828
SMILES
CC(C)(C)OC(=O)NC/C=C/CN
InChI
InChI=1S/C9H18N2O2/c1-9(2,3)13-8(12)11-7-5-4-6-10/h4-5H,6-7,10H2,1-3H3,(H,11,12)/b5-4+
InChIKey
BWNIUPOJWUXWMX-SNAWJCMRSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.67
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
52.43
TPSA
64.35
LogP / Solubility
WLOGP
1.03
MLOGP
0.9
XLogP3
0.3
Consensus LogP
0.74
Log S (ESOL)
-1.44
Class (ESOL)
Soluble
Log S (Ali)
-1.83
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.08
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)
-3.13
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 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501
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![CAS 146398-02-9 Butanoic acid, 4-hydroxy-3-[[(phenylMethoxy)carbonyl]aMino]-,1,1-diMethylethyl ester, (3S)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/146398-02-9.gif)
