CAS RN: 1864056-40-5
1-(3-METHYLPHENYL)PROPAN-1-AMINE HCl
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.20251109 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1864056-40-5
- Purity/Analytical Methods: >99.0%
1864056-40-5 / 1-(3-methylphenyl)propan-1-amine;hydrochloride
Basic Information
CAS
1864056-40-5
Multi CAS
No
Molecular Formula
C10H16ClN
Molecular Weight
185.690000
Exact Mass
185.097127
SMILES
CCC(C1=CC=CC(=C1)C)N.Cl
InChI
InChI=1S/C10H15N.ClH/c1-3-10(11)9-6-4-5-8(2)7-9;/h4-7,10H,3,11H2,1-2H3;1H
InChIKey
WSMNRTKLFDPCAX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
55.65
TPSA
26.02
LogP / Solubility
WLOGP
2.83
MLOGP
2.49
XLogP3
2.83
Consensus LogP
2.72
Log S (ESOL)
-3.01
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.12
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.45
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)
-1.85
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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