CAS RN: 1214130-10-5
N~1~,N~1~-dimethylleucinamide 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.20260509 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1214130-10-5
- Purity/Analytical Methods: >99.0%
1214130-10-5 / 2-amino-N,N,4-trimethylpentanamide;hydrochloride
Basic Information
CAS
1214130-10-5
Multi CAS
No
Molecular Formula
C8H19ClN2O
Molecular Weight
194.700000
Exact Mass
194.118591
SMILES
CC(C)CC(C(=O)N(C)C)N.Cl
InChI
InChI=1S/C8H18N2O.ClH/c1-6(2)5-7(9)8(11)10(3)4;/h6-7H,5,9H2,1-4H3;1H
InChIKey
WBAHRUNBZZZHKT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.88
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
53.37
TPSA
46.33
LogP / Solubility
WLOGP
0.87
MLOGP
0.76
XLogP3
0.87
Consensus LogP
0.83
Log S (ESOL)
-1.4
Class (ESOL)
Soluble
Log S (Ali)
-1.78
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.01
Class (SILICOS-IT)
Moderately 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)
-3.29
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
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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