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CAS 19616-28-5 Bis(2,4-dimethylphenyl)amine molecular structure lightbox
CAS RN: 19616-28-5

Bis(2,4-dimethylphenyl)amine

  • Product code: SSC-092679
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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: ＞97%
  • 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 19616-28-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Hong Kong Inquiry

19616-28-5 / N-(2,4-dimethylphenyl)-2,4-dimethylaniline

Standard CAS: 19616-28-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
19616-28-5
Multi CAS
No
Molecular Formula
C16H19N
Molecular Weight
225.330000
Exact Mass
225.151750
SMILES
CC1=CC(=C(C=C1)NC2=C(C=C(C=C2)C)C)C
InChI
InChI=1S/C16H19N/c1-11-5-7-15(13(3)9-11)17-16-8-6-12(2)10-14(16)4/h5-10,17H,1-4H3
InChIKey
MAINCNYZMOMWRA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
75.11
TPSA
12.03

LogP / Solubility

WLOGP
4.66
MLOGP
4.11
XLogP3
4.9
Consensus LogP
4.56
Log S (ESOL)
-4.57
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.78
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.24
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.78

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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