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CAS 15513-18-5 ISOPROPYL-PYRIDIN-2-YL-AMINE DIHYDROCHLORIDE molecular structure lightbox
CAS RN: 15513-18-5

ISOPROPYL-PYRIDIN-2-YL-AMINE DIHYDROCHLORIDE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250423 25mg / 100mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS15513-18-5
  • Purity/Analytical Methods: >99.0%
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15513-18-5 / N-propan-2-ylpyridin-2-amine

Standard CAS: 15513-18-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
15513-18-5
Multi CAS
No
Molecular Formula
C8H12N2
Molecular Weight
136.190000
Exact Mass
136.100048
SMILES
CC(C)NC1=CC=CC=N1
InChI
InChI=1S/C8H12N2/c1-7(2)10-8-5-3-4-6-9-8/h3-7H,1-2H3,(H,9,10)
InChIKey
JQPJCPJUEYREHV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
43
TPSA
24.92

LogP / Solubility

WLOGP
1.9
MLOGP
1.67
XLogP3
1.9
Consensus LogP
1.82
Log S (ESOL)
-2.19
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.05
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.36
Class (SILICOS-IT)
Moderately 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)
-2.2

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H319 (95.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501

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