CAS RN: 1035374-20-9
3-Aminocyclobutanone hydrochloride
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock2 grade groups
- Product code: SSC-005116
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, 1g, 5g, 10g, 25g
- Available purity: ≥95%
- Inventory rows with stock: 1
- 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.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | ≥95% | 1 In Stock | Shanghai | Inquiry |
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
| 5g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
| 10g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
| 25g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
1035374-20-9 / 3-aminocyclobutan-1-one;hydrochloride
3-aminocyclobutan-1-one hydrochloride | RefChem:497723 | 817-325-6
Basic Information
CAS
1035374-20-9
Multi CAS
Yes
Molecular Formula
C4H8ClNO
Molecular Weight
121.560000
Exact Mass
121.029442
SMILES
C1C(CC1=O)N.Cl
InChI
InChI=1S/C4H7NO.ClH/c5-3-1-4(6)2-3;/h3H,1-2,5H2;1H
InChIKey
NEQHFBUOBOTJDV-UHFFFAOYSA-N
Synonyms
3-aminocyclobutan-1-one hydrochloride
RefChem:497723
817-325-6
3-aminocyclobutanone hydrochloride
3-AMINOCYCLOBUTANONE HCL
Computed Properties
Structural Parameters
Heavy atom count
7
Fraction Csp3
0.75
H-bond acceptors
2
H-bond donors
1
Molar refractivity
29.46
TPSA
43.09
LogP / Solubility
WLOGP
0.1
MLOGP
0.08
XLogP3
0.1
Consensus LogP
0.09
Log S (ESOL)
-0.66
Class (ESOL)
Very soluble
Log S (Ali)
-0.63
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.53
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)
-3.39
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]
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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