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CAS 6406-73-1 4-[(DIETHYLAMINO)METHYL]ANILINE molecular structure lightbox
CAS RN: 6406-73-1

4-[(DIETHYLAMINO)METHYL]ANILINE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250523 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS6406-73-1
  • Purity/Analytical Methods: >99.0%
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6406-73-1 / 4-(diethylaminomethyl)aniline

Standard CAS: 6406-73-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6406-73-1
Multi CAS
Yes
Molecular Formula
C11H18N2
Molecular Weight
178.270000
Exact Mass
178.146999
InChI
InChI=1S/C11H18N2/c1-3-13(4-2)9-10-5-7-11(12)8-6-10/h5-8H,3-4,9,12H2,1-2H3
InChIKey
AFHLJRYAVLIEMS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
57.48
TPSA
29.26

LogP / Solubility

WLOGP
2.11
MLOGP
1.85
XLogP3
1.8
Consensus LogP
1.92
Log S (ESOL)
-2.35
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.55
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.05
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)
-2.31

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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