CAS RN: 1196152-13-2
3-(trifluoromethyl)morpholine
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251012 | 500mg | Out of stock | 1 business days | Inquiry |
- Product code: SSC-020205
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
1196152-13-2 / 3-(trifluoromethyl)morpholine;hydrochloride
3-(trifluoromethyl)morpholine hydrochloride | Morpholine, 3-(trifluoromethyl)-, hydrochloride (1:1) | RefChem:496402
Basic Information
CAS
1196152-13-2
Multi CAS
Yes
Molecular Formula
C5H9ClF3NO
Molecular Weight
191.580000
Exact Mass
191.032476
SMILES
C1COCC(N1)C(F)(F)F.Cl
InChI
InChI=1S/C5H8F3NO.ClH/c6-5(7,8)4-3-10-2-1-9-4;/h4,9H,1-3H2;1H
InChIKey
OHFRHIUJBMHGLQ-UHFFFAOYSA-N
Synonyms
3-(trifluoromethyl)morpholine hydrochloride
Morpholine, 3-(trifluoromethyl)-, hydrochloride (1:1)
RefChem:496402
825-819-8
3-(trifluoromethyl)morpholine;hydrochloride
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
35.91
TPSA
21.26
LogP / Solubility
WLOGP
0.96
MLOGP
0.84
XLogP3
0.96
Consensus LogP
0.92
Log S (ESOL)
-1.63
Class (ESOL)
Soluble
Log S (Ali)
-1.82
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.7
Class (SILICOS-IT)
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)
-3.21
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
