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CAS 40336-81-0 4-DIETHYLAMINOBENZYLAMINE molecular structure lightbox
CAS RN: 40336-81-0

4-DIETHYLAMINOBENZYLAMINE

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4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250424 100mg In stock Inquiry
Batchno.20260519 1g In stock Inquiry
Batchno.20250411 250mg In stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260110 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS40336-81-0
  • Purity/Analytical Methods: >99.0%
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40336-81-0 / 4-(aminomethyl)-N,N-diethylaniline

Standard CAS: 40336-81-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
40336-81-0
Multi CAS
No
Molecular Formula
C11H18N2
Molecular Weight
178.270000
Exact Mass
178.146999
InChI
InChI=1S/C11H18N2/c1-3-13(4-2)11-7-5-10(9-12)6-8-11/h5-8H,3-4,9,12H2,1-2H3
InChIKey
LBSZDWUTQGRQKH-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
57.89
TPSA
29.26

LogP / Solubility

WLOGP
1.99
MLOGP
1.75
XLogP3
2
Consensus LogP
1.91
Log S (ESOL)
-2.28
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.46
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.95
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)
-2.39

Drug-likeness / Medicinal Chemistry

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

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