CAS RN: 170799-36-7
6-(AMinoMethyl)Morpholin-3-one hydrochloride
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.20250915 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS170799-36-7
- Purity/Analytical Methods: >99.0%
170799-36-7 / 6-(aminomethyl)morpholin-3-one;hydrochloride
Basic Information
CAS
170799-36-7
Multi CAS
No
Molecular Formula
C5H11ClN2O2
Molecular Weight
166.600000
Exact Mass
166.050905
SMILES
C1C(OCC(=O)N1)CN.Cl
InChI
InChI=1S/C5H10N2O2.ClH/c6-1-4-2-7-5(8)3-9-4;/h4H,1-3,6H2,(H,7,8);1H
InChIKey
ZVGJFNSJTCZGQS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
39.05
TPSA
64.35
LogP / Solubility
WLOGP
-1.12
MLOGP
-0.99
XLogP3
-1.12
Consensus LogP
-1.08
Log S (ESOL)
-0.1
Class (ESOL)
Very soluble
Log S (Ali)
-0.12
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.07
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.53
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
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