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CAS 15450-05-2 2-Propyl-2-imidazoline molecular structure lightbox
CAS RN: 15450-05-2

2-Propyl-2-imidazoline

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251231 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: ICTP1164
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15450-05-2 / 2-propyl-4,5-dihydro-1H-imidazole

Standard CAS: 15450-05-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
15450-05-2
Multi CAS
No
Molecular Formula
C6H12N2
Molecular Weight
112.170000
Exact Mass
112.100048
SMILES
CCCC1=NCCN1
InChI
InChI=1S/C6H12N2/c1-2-3-6-7-4-5-8-6/h2-5H2,1H3,(H,7,8)
InChIKey
LFCYHAXVBWPGQR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.83
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
35.21
TPSA
24.39

LogP / Solubility

WLOGP
0.79
MLOGP
0.68
XLogP3
0.1
Consensus LogP
0.52
Log S (ESOL)
-0.9
Class (ESOL)
Very soluble
Log S (Ali)
-1.05
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.28
Class (SILICOS-IT)
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)
-2.84

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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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