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CAS 124842-96-2 1,2-Di-p-tolylethylenediamine molecular structure lightbox
CAS RN: 124842-96-2

1,2-Di-p-tolylethylenediamine

  • Product code: SSC-029111
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 0.25g, 10g, 25g, 0.1g
  • Available purity: >97%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 124842-96-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 5 In Stock Shenzhen Inquiry
5g >97% 5 In Stock Shanghai Inquiry
0.25g >97% 3 In Stock Shenzhen Inquiry
10g >97% 3 In Stock Beijing Inquiry
25g >97% 2 In Stock Shenzhen Inquiry
0.1g >97% 0 Out of Stock Hong Kong Inquiry

124842-96-2 / 1,2-bis(4-methylphenyl)ethane-1,2-diamine

Standard CAS: 124842-96-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
124842-96-2
Multi CAS
No
Molecular Formula
C16H20N2
Molecular Weight
240.340000
Exact Mass
240.162649
SMILES
CC1=CC=C(C=C1)C(C(C2=CC=C(C=C2)C)N)N
InChI
InChI=1S/C16H20N2/c1-11-3-7-13(8-4-11)15(17)16(18)14-9-5-12(2)6-10-14/h3-10,15-16H,17-18H2,1-2H3
InChIKey
UQUZLWQGLCLOBD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
76.21
TPSA
52.04

LogP / Solubility

WLOGP
3
MLOGP
2.65
XLogP3
2.1
Consensus LogP
2.58
Log S (ESOL)
-3.52
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.7
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.07
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.05

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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