CAS RN: 173336-90-8
3-AMINO-1-MORPHOLIN-4-YL-PROPAN-1-ONE HCL
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.20250621 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS173336-90-8
- Purity/Analytical Methods: >99.0%
173336-90-8 / 3-amino-1-morpholin-4-ylpropan-1-one;hydrochloride
Basic Information
CAS
173336-90-8
Multi CAS
No
Molecular Formula
C7H15ClN2O2
Molecular Weight
194.660000
Exact Mass
194.082205
SMILES
C1COCCN1C(=O)CCN.Cl
InChI
InChI=1S/C7H14N2O2.ClH/c8-2-1-7(10)9-3-5-11-6-4-9;/h1-6,8H2;1H
InChIKey
KRAZCOQCSUZPPO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.86
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
48.32
TPSA
55.56
LogP / Solubility
WLOGP
-0.38
MLOGP
-0.34
XLogP3
-0.38
Consensus LogP
-0.37
Log S (ESOL)
-0.67
Class (ESOL)
Very soluble
Log S (Ali)
-0.88
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.85
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)
-4.18
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]
H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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