CAS RN: 10201-15-7
3-aMino-3-Methylbutan-2-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.20250406 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS10201-15-7
- Purity/Analytical Methods: >99.0%
10201-15-7 / 3-amino-3-methylbutan-2-one;hydrochloride
3-Amino-3-methylbutan-2-one hydrochloride | RefChem:497165 | 871-680-1
Basic Information
CAS
10201-15-7
Multi CAS
Yes
Molecular Formula
C5H12ClNO
Molecular Weight
137.610000
Exact Mass
137.060742
SMILES
CC(=O)C(C)(C)N.Cl
InChI
InChI=1S/C5H11NO.ClH/c1-4(7)5(2,3)6;/h6H2,1-3H3;1H
InChIKey
QFGGOJPUCZLVSR-UHFFFAOYSA-N
Synonyms
3-Amino-3-methylbutan-2-one hydrochloride
RefChem:497165
871-680-1
3-Amino-3-methyl-2-butanone hydrochloride
2-Butanone, 3-amino-3-methyl-, hydrochloride (1:1)
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
36.2
TPSA
43.09
LogP / Solubility
WLOGP
0.73
MLOGP
0.64
XLogP3
0.73
Consensus LogP
0.7
Log S (ESOL)
-1.09
Class (ESOL)
Soluble
Log S (Ali)
-1.22
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.28
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)
-3.04
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
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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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