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CAS 961-38-6 2,4,6-Tri-tert-butylaniline molecular structure lightbox
CAS RN: 961-38-6

2,4,6-Tri-tert-butylaniline

  • Product code: SSC-211893
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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, 10g, 25g
  • Available purity: ≥97%
  • Inventory rows with stock: 4
  • 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 961-38-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 4 In Stock Shanghai Inquiry
5g ≥97% 2 In Stock Beijing Inquiry
10g ≥97% 2 In Stock Shenzhen Inquiry
25g ≥97% 2 In Stock Shenzhen Inquiry

961-38-6 / 2,4,6-tritert-butylaniline

Standard CAS: 961-38-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
961-38-6
Multi CAS
Yes
Molecular Formula
C18H31N
Molecular Weight
261.400000
Exact Mass
261.245650
InChI
InChI=1S/C18H31N/c1-16(2,3)12-10-13(17(4,5)6)15(19)14(11-12)18(7,8)9/h10-11H,19H2,1-9H3
InChIKey
REJGDSCBQPJPQT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.67
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
86.95
TPSA
26.02

LogP / Solubility

WLOGP
5.16
MLOGP
4.55
XLogP3
6.3
Consensus LogP
5.34
Log S (ESOL)
-4.95
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.43
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.64
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.65

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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