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CAS RN: 1373253-20-3
IMidazolidin-4-one hydrochloride
Product Availability
Choose a grade to view its available package options.
4 package records0 with current stock1 grade group
- Product code: starshine_CAS1373253-20-3
- Purity/Analytical Methods: >99.0%
1373253-20-3 / imidazolidin-4-one;hydrochloride
Basic Information
CAS
1373253-20-3
Multi CAS
No
Molecular Formula
C3H7ClN2O
Molecular Weight
122.550000
Exact Mass
122.024691
SMILES
C1C(=O)NCN1.Cl
InChI
InChI=1S/C3H6N2O.ClH/c6-3-1-4-2-5-3;/h4H,1-2H2,(H,5,6);1H
InChIKey
DCQHTUPOWLBQSF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
7
Fraction Csp3
0.67
H-bond acceptors
2
H-bond donors
2
Molar refractivity
28.26
TPSA
41.13
LogP / Solubility
WLOGP
-0.91
MLOGP
-0.81
XLogP3
-0.91
Consensus LogP
-0.88
Log S (ESOL)
-0.02
Class (ESOL)
Very soluble
Log S (Ali)
0.1
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.3
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
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)
-4.12
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 (50%): 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 (50%): 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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