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CAS 29473-53-8 N-(2-Diethylaminoethyl)-1-naphthylamine Oxalate molecular structure lightbox
CAS RN: 29473-53-8

N-(2-Diethylaminoethyl)-1-naphthylamine Oxalate

  • Product code: SSC-132340
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 29473-53-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

29473-53-8 / N',N'-diethyl-N-naphthalen-1-ylethane-1,2-diamine;oxalic acid

Standard CAS: 29473-53-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
29473-53-8
Multi CAS
Yes
Molecular Formula
C18H24N2O4
Molecular Weight
332.400000
Exact Mass
332.173607
InChI
InChI=1S/C16H22N2.C2H2O4/c1-3-18(4-2)13-12-17-16-11-7-9-14-8-5-6-10-15(14)16;3-1(4)2(5)6/h5-11,17H,3-4,12-13H2,1-2H3;(H,3,4)(H,5,6)
InChIKey
MNUSPWMHIHYMKM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
10
Fraction Csp3
0.33
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
3
Molar refractivity
95.5
TPSA
89.87

LogP / Solubility

WLOGP
2.75
MLOGP
2.44
XLogP3
2.75
Consensus LogP
2.65
Log S (ESOL)
-3.55
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.27
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.82
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.8

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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