CAS RN: 104641-59-0
(S)-1-Methyl-3-pyrrolidinol
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250501 | 1g / 5g / 25g | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: SSC-006394
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: 0.25g, 1g, 5g, 10g, 25g
- Available purity: >97%
- Inventory rows with stock: 1
- 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 |
|---|---|---|---|---|
| 0.25g | >97% | 2 In Stock | Shanghai | Inquiry |
| 1g | >97% | 0 Out of Stock | Beijing | Inquiry |
| 5g | >97% | 0 Out of Stock | Hong Kong | Inquiry |
| 10g | >97% | 0 Out of Stock | Beijing | Inquiry |
| 25g | >97% | 0 Out of Stock | Shenzhen | Inquiry |
104641-59-0 / (3S)-1-methylpyrrolidin-3-ol
1-Methyl-3-pyrrolidinol | 1-Methylpyrrolidin-3-ol | 3-Hydroxy-1-methylpyrrolidine
Basic Information
CAS
104641-59-0
Multi CAS
Yes
Molecular Formula
C5H11NO
Molecular Weight
101.150000
Exact Mass
101.084064
SMILES
CN1CC[C@@H](C1)O
InChI
InChI=1S/C5H11NO/c1-6-3-2-5(7)4-6/h5,7H,2-4H2,1H3/t5-/m0/s1
InChIKey
FLVFPAIGVBQGET-YFKPBYRVSA-N
Synonyms
1-Methyl-3-pyrrolidinol
1-Methylpyrrolidin-3-ol
3-Hydroxy-1-methylpyrrolidine
N-Methyl-3-pyrrolidinol
3-Pyrrolidinol, 1-methyl-
Computed Properties
Structural Parameters
Heavy atom count
7
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
28.12
TPSA
23.47
LogP / Solubility
WLOGP
-0.32
MLOGP
-0.29
XLogP3
-0.2
Consensus LogP
-0.27
Log S (ESOL)
-0.27
Class (ESOL)
Very soluble
Log S (Ali)
-0.16
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.05
Class (SILICOS-IT)
Very 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)
-3.56
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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 (37.5%): 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
![CAS 1052236-86-8 (S)-5-Allyl-2-oxabicyclo[3.3.0]oct-8-ene molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/a1984-jpgcontextbwfzdgvyfhjvb3r8mzm3odv8aw1hz2uvanblz3xonzuvadqwlzg5mjgzntiymdy4nzgvqte5odquanbnfda3yjvimdzjywmwnjk1ztm3zgfkodeyzjfjngy3ndblogflztk3mddlymq3mzi5zdbhnjdlyjmxzjrmzjmzyjg.jpeg)
