CAS RN: 1187931-81-2
Quinolin-5-ylMethanaMine 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.20250323 | 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1187931-81-2
- Purity/Analytical Methods: >99.0%
1187931-81-2 / quinolin-5-ylmethanamine;hydrochloride
1-Quinolin-5-yl-methylamine hydrochloride | quinolin-5-ylmethanamine hydrochloride | MFCD09701405
Basic Information
CAS
1187931-81-2
Multi CAS
Yes
Molecular Formula
C10H11ClN2
Molecular Weight
194.660000
Exact Mass
194.061076
SMILES
C1=CC(=C2C=CC=NC2=C1)CN.Cl
InChI
InChI=1S/C10H10N2.ClH/c11-7-8-3-1-5-10-9(8)4-2-6-12-10;/h1-6H,7,11H2;1H
InChIKey
LSVBCYBGVYQEJX-UHFFFAOYSA-N
Synonyms
1-Quinolin-5-yl-methylamine hydrochloride
quinolin-5-ylmethanamine hydrochloride
MFCD09701405
C-Quinolin-5-yl-methylamine hydrochloride
quinolin-5-ylmethanamine;hydrochloride
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
56.88
TPSA
38.91
LogP / Solubility
WLOGP
2.12
MLOGP
1.86
XLogP3
2.12
Consensus LogP
2.03
Log S (ESOL)
-2.88
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.68
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.8
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.41
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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