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CAS 72954-99-5 [2-methyl-1-(3-pyridinyl)propyl]amine dihydrochloride molecular structure lightbox
CAS RN: 72954-99-5

[2-methyl-1-(3-pyridinyl)propyl]amine dihydrochloride

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250814 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS72954-99-5
  • Purity/Analytical Methods: >99.0%
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72954-99-5 / 2-methyl-1-pyridin-3-ylpropan-1-amine;dihydrochloride

Standard CAS: 72954-99-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
72954-99-5
Multi CAS
No
Molecular Formula
C9H16CL2N2
Molecular Weight
223.140000
Exact Mass
222.069054
InChI
InChI=1S/C9H14N2.2ClH/c1-7(2)9(10)8-4-3-5-11-6-8;;/h3-7,9H,10H2,1-2H3;2*1H
InChIKey
HRPFEVDYCALKLE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
60.5
TPSA
38.91

LogP / Solubility

WLOGP
2.58
MLOGP
2.27
XLogP3
2.58
Consensus LogP
2.48
Log S (ESOL)
-3.06
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.25
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.49
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)
-2.25

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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