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CAS 537-65-5 4,4′-Iminodianiline molecular structure lightbox
CAS RN: 537-65-5

4,4′-Iminodianiline

  • Product code: SSC-161080
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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: 1g
  • 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 537-65-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

537-65-5 / 4-N-(4-aminophenyl)benzene-1,4-diamine

Standard CAS: 537-65-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
537-65-5
Multi CAS
Yes
Molecular Formula
C12H13N3
Molecular Weight
199.250000
Exact Mass
199.110947
InChI
InChI=1S/C12H13N3/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8,15H,13-14H2
InChIKey
QZHXKQKKEBXYRG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
3
Molar refractivity
64.99
TPSA
64.07

LogP / Solubility

WLOGP
2.59
MLOGP
2.28
XLogP3
2.1
Consensus LogP
2.32
Log S (ESOL)
-3.17
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.07
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.35
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.09

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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