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CAS 1260743-53-0 3-Cyclopropyl-N-methylaniline molecular structure lightbox
CAS RN: 1260743-53-0

3-Cyclopropyl-N-methylaniline

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251012 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS1260743-53-0
  • Purity/Analytical Methods: >99.0%
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1260743-53-0 / 3-cyclopropyl-N-methylaniline

Standard CAS: 1260743-53-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1260743-53-0
Multi CAS
No
Molecular Formula
C10H13N
Molecular Weight
147.220000
Exact Mass
147.104799
SMILES
CNC1=CC=CC(=C1)C2CC2
InChI
InChI=1S/C10H13N/c1-11-10-4-2-3-9(7-10)8-5-6-8/h2-4,7-8,11H,5-6H2,1H3
InChIKey
ZUPIODAOUBVVGZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
47.96
TPSA
12.03

LogP / Solubility

WLOGP
2.61
MLOGP
2.29
XLogP3
2.8
Consensus LogP
2.57
Log S (ESOL)
-2.67
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.65
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.02
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)
-1.77

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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