CAS RN: 114214-69-6
1-(tert-Butoxycarbonyl)-3-pyrrolidinemethanol
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260508 | 1g / 5g / 25g / 100g / 500g | Confirm by inquiry | Shanghai, Shandong | 8-10 business days | Inquiry |
- Product code: SSC-014070
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, 10g, 100g, 25g
- Available purity: ≥97%
- 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 | ≥97% | 5 In Stock | Hong Kong | Inquiry |
| 5g | ≥97% | 3 In Stock | Shenzhen | Inquiry |
| 10g | ≥97% | 2 In Stock | Shanghai | Inquiry |
| 100g | ≥97% | 2 In Stock | Beijing | Inquiry |
| 25g | ≥97% | 1 In Stock | Shanghai | Inquiry |
114214-69-6 / tert-butyl 3-(hydroxymethyl)pyrrolidine-1-carboxylate
tert-butyl (3R)-3-(hydroxymethyl)pyrrolidine-1-carboxylate | DTXSID20363861 | RefChem:383011
Basic Information
CAS
114214-69-6
Multi CAS
Yes
Molecular Formula
C10H19NO3
Molecular Weight
201.260000
Exact Mass
201.136493
SMILES
CC(C)(C)OC(=O)N1CCC(C1)CO
InChI
InChI=1S/C10H19NO3/c1-10(2,3)14-9(13)11-5-4-8(6-11)7-12/h8,12H,4-7H2,1-3H3
InChIKey
HKIGXXRMJFUUKV-UHFFFAOYSA-N
Synonyms
tert-butyl (3R)-3-(hydroxymethyl)pyrrolidine-1-carboxylate
DTXSID20363861
RefChem:383011
DTXCID10314908
868-058-7
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.9
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
53
TPSA
49.77
LogP / Solubility
WLOGP
1.24
MLOGP
1.09
XLogP3
0.8
Consensus LogP
1.04
Log S (ESOL)
-1.8
Class (ESOL)
Soluble
Log S (Ali)
-2.1
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.11
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
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
Safety & Transport
Pictogram(s)
Acute Toxic
Irritant
Environmental Hazard
Signal
Danger
GHS Hazard Statements
H301 (25%): Toxic if swallowed [Danger Acute toxicity, oral]
H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (25%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
H400 (25%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501
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![CAS 114214-49-2 tert-Butyl 6-Oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b5385-jpgcontextbwfzdgvyfhjvb3r8mzaxntl8aw1hz2uvanblz3xomdavadu2lzg5mjkxotg5mze5otgvqjuzoduuanbnfgnjnta2otnlzgjhoduynzq3ntnjn2m4zgqxnjdknzdkmtmzzdbjymjknzk5otrjntvmnze1zjc5mddlnwexytc.jpeg)
