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CAS 1374665-69-6 3-Pyridinamine, 4-(1,1-dimethylethyl)- molecular structure lightbox
CAS RN: 1374665-69-6

3-Pyridinamine, 4-(1,1-dimethylethyl)-

  • Product code: SSC-047097
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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 1374665-69-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1374665-69-6 / 4-tert-butylpyridin-3-amine

Standard CAS: 1374665-69-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1374665-69-6
Multi CAS
No
Molecular Formula
C9H14N2
Molecular Weight
150.220000
Exact Mass
150.115698
SMILES
CC(C)(C)C1=C(C=NC=C1)N
InChI
InChI=1S/C9H14N2/c1-9(2,3)7-4-5-11-6-8(7)10/h4-6H,10H2,1-3H3
InChIKey
TZEDCZGGACXELD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
47.35
TPSA
38.91

LogP / Solubility

WLOGP
1.96
MLOGP
1.72
XLogP3
1.8
Consensus LogP
1.83
Log S (ESOL)
-2.41
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.21
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.26
Class (SILICOS-IT)
Moderately 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)
-2.24

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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