CAS RN: 1088884-71-2
2,2-diMethylazetidine HCl
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
- Product code: SSC-010084
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, 0.1g, 1g, 5g
- Available purity: >95%
- Inventory rows with stock: 2
- 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.
1088884-71-2 / 2,2-dimethylazetidine;hydrochloride
2,2-Dimethylazetidine hydrochloride | 2,2-diMethylazetidine HCl | 2,2-dimethylazetidine;hydrochloride
Basic Information
CAS
1088884-71-2
Multi CAS
No
Molecular Formula
C5H12ClN
Molecular Weight
121.610000
Exact Mass
121.065827
SMILES
CC1(CCN1)C.Cl
InChI
InChI=1S/C5H11N.ClH/c1-5(2)3-4-6-5;/h6H,3-4H2,1-2H3;1H
InChIKey
OGFLUJFTPGVNFT-UHFFFAOYSA-N
Synonyms
2,2-Dimethylazetidine hydrochloride
2,2-diMethylazetidine HCl
2,2-dimethylazetidine;hydrochloride
MFCD19439665
SCHEMBL3726210
Computed Properties
Structural Parameters
Heavy atom count
7
Fraction Csp3
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
33.95
TPSA
12.03
LogP / Solubility
WLOGP
1.18
MLOGP
1.03
XLogP3
1.18
Consensus LogP
1.13
Log S (ESOL)
-1.34
Class (ESOL)
Soluble
Log S (Ali)
-1.41
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.43
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)
-2.62
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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