CAS RN: 1822318-01-3
(1R)-2-METHYL-1-PHENYLBUTAN-1-AMINE HCL
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250702 | 1g / 5g / 10g | Confirm by inquiry | Shanghai | 3-5 business days | Inquiry |
- Product code: starshine_CAS1822318-01-3
- Purity/Analytical Methods: >99.0%
1822318-01-3 / (1R)-2-methyl-1-phenylbutan-1-amine;hydrochloride
Basic Information
CAS
1822318-01-3
Multi CAS
No
Molecular Formula
C11H18ClN
Molecular Weight
199.720000
Exact Mass
199.112777
SMILES
CCC(C)[C@H](C1=CC=CC=C1)N.Cl
InChI
InChI=1S/C11H17N.ClH/c1-3-9(2)11(12)10-7-5-4-6-8-10;/h4-9,11H,3,12H2,1-2H3;1H/t9?,11-;/m1./s1
InChIKey
OBSSYONPWUBLOS-HHDUEHQLSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
60.07
TPSA
26.02
LogP / Solubility
WLOGP
3.15
MLOGP
2.78
XLogP3
3.15
Consensus LogP
3.03
Log S (ESOL)
-3.21
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.48
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.94
Class (SILICOS-IT)
Poorly 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)
-1.7
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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