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CAS 21524-36-7 Benzenamine, 2,4,6-tris(1-methylethyl)- molecular structure lightbox
CAS RN: 21524-36-7

Benzenamine, 2,4,6-tris(1-methylethyl)-

  • Product code: SSC-103148
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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: 0.1g
  • 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 21524-36-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shanghai Inquiry

21524-36-7 / 2,4,6-tri(propan-2-yl)aniline

Standard CAS: 21524-36-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
21524-36-7
Multi CAS
No
Molecular Formula
C15H25N
Molecular Weight
219.370000
Exact Mass
219.198700
SMILES
CC(C)C1=CC(=C(C(=C1)C(C)C)N)C(C)C
InChI
InChI=1S/C15H25N/c1-9(2)12-7-13(10(3)4)15(16)14(8-12)11(5)6/h7-11H,16H2,1-6H3
InChIKey
FQFPALKHIHTSNY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
73.12
TPSA
26.02

LogP / Solubility

WLOGP
4.64
MLOGP
4.08
XLogP3
4.6
Consensus LogP
4.44
Log S (ESOL)
-4.2
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.71
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.3
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.76

Drug-likeness / Medicinal Chemistry

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

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