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CAS 1178634-82-6 3-Methyl-1-(4-pyridyl)-1-butylaMine molecular structure lightbox
CAS RN: 1178634-82-6

3-Methyl-1-(4-pyridyl)-1-butylaMine

  • Product code: SSC-017686
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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: ≥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 1178634-82-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

1178634-82-6 / 3-methyl-1-pyridin-4-ylbutan-1-amine

3-Methyl-1-(4-pyridyl)-1-butylamine | 3-Methyl-1-(pyridin-4-yl)butan-1-amine | MFCD12153948

Standard CAS: 1178634-82-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1178634-82-6
Multi CAS
No
Molecular Formula
C10H16N2
Molecular Weight
164.250000
Exact Mass
164.131349
SMILES
CC(C)CC(C1=CC=NC=C1)N
InChI
InChI=1S/C10H16N2/c1-8(2)7-10(11)9-3-5-12-6-4-9/h3-6,8,10H,7,11H2,1-2H3
InChIKey
WZKXOTOXKAZUIA-UHFFFAOYSA-N
Synonyms
3-Methyl-1-(4-pyridyl)-1-butylamine 3-Methyl-1-(pyridin-4-yl)butan-1-amine MFCD12153948 3-methyl-1-pyridin-4-ylbutan-1-amine AC7589

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
50.62
TPSA
38.91

LogP / Solubility

WLOGP
2.13
MLOGP
1.87
XLogP3
1.4
Consensus LogP
1.8
Log S (ESOL)
-2.37
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.44
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.85
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)
-2.21

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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