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CAS 65542-26-9 N-(4-TERT-BUTYLBENZYL)-N-METHYLAMINE molecular structure lightbox
CAS RN: 65542-26-9

N-(4-TERT-BUTYLBENZYL)-N-METHYLAMINE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260228 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS65542-26-9
  • Purity/Analytical Methods: >99.0%
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65542-26-9 / 1-(4-tert-butylphenyl)-N-methylmethanamine

Standard CAS: 65542-26-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
65542-26-9
Multi CAS
No
Molecular Formula
C12H19N
Molecular Weight
177.290000
Exact Mass
177.151750
InChI
InChI=1S/C12H19N/c1-12(2,3)11-7-5-10(6-8-11)9-13-4/h5-8,13H,9H2,1-4H3
InChIKey
ZSHCHOYJMLEAOX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
57.91
TPSA
12.03

LogP / Solubility

WLOGP
2.7
MLOGP
2.38
XLogP3
3
Consensus LogP
2.69
Log S (ESOL)
-2.85
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.97
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.3
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)
-1.88

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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