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CAS 133980-64-0 2,4-diisopropylpyridin-3-amine molecular structure lightbox
CAS RN: 133980-64-0

2,4-diisopropylpyridin-3-amine

  • Product code: SSC-041139
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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 133980-64-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

133980-64-0 / 2,4-di(propan-2-yl)pyridin-3-amine

Standard CAS: 133980-64-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
133980-64-0
Multi CAS
No
Molecular Formula
C11H18N2
Molecular Weight
178.270000
Exact Mass
178.146999
SMILES
CC(C)C1=C(C(=NC=C1)C(C)C)N
InChI
InChI=1S/C11H18N2/c1-7(2)9-5-6-13-11(8(3)4)10(9)12/h5-8H,12H2,1-4H3
InChIKey
UHPZLGUFXBSUFR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.55
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
56.83
TPSA
38.91

LogP / Solubility

WLOGP
2.91
MLOGP
2.56
XLogP3
2.5
Consensus LogP
2.66
Log S (ESOL)
-2.99
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.12
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.47
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.74

Drug-likeness / Medicinal Chemistry

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

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