CAS RN: 2103395-83-9
propan-1-amine 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.20250206 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2103395-83-9
- Purity/Analytical Methods: >99.0%
2103395-83-9 / (1S)-1-(3-methoxyphenyl)propan-1-amine;hydrochloride
Basic Information
CAS
2103395-83-9
Multi CAS
No
Molecular Formula
C10H16ClNO
Molecular Weight
201.690000
Exact Mass
201.092042
SMILES
CC[C@@H](C1=CC(=CC=C1)OC)N.Cl
InChI
InChI=1S/C10H15NO.ClH/c1-3-10(11)8-5-4-6-9(7-8)12-2;/h4-7,10H,3,11H2,1-2H3;1H/t10-;/m0./s1
InChIKey
MRMOMOWBZZIRBU-PPHPATTJSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
57.46
TPSA
35.25
LogP / Solubility
WLOGP
2.53
MLOGP
2.22
XLogP3
2.53
Consensus LogP
2.43
Log S (ESOL)
-2.83
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.04
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.43
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)
-2.16
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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