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CAS 1179877-52-1 1-(4-Pyridyl)-1-butylaMine molecular structure lightbox
CAS RN: 1179877-52-1

1-(4-Pyridyl)-1-butylaMine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250131 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-017832
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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 1179877-52-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >95% 0 Out of Stock Shanghai Inquiry

1179877-52-1 / 1-pyridin-4-ylbutan-1-amine

1-(Pyridin-4-yl)butan-1-amine | 1-(4-Pyridyl)-1-butylamine | MFCD12153946

Standard CAS: 1179877-52-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1179877-52-1
Multi CAS
No
Molecular Formula
C9H14N2
Molecular Weight
150.220000
Exact Mass
150.115698
SMILES
CCCC(C1=CC=NC=C1)N
InChI
InChI=1S/C9H14N2/c1-2-3-9(10)8-4-6-11-7-5-8/h4-7,9H,2-3,10H2,1H3
InChIKey
UVQRWTNCVQBRPK-UHFFFAOYSA-N
Synonyms
1-(Pyridin-4-yl)butan-1-amine 1-(4-Pyridyl)-1-butylamine MFCD12153946 1-pyridin-4-ylbutan-1-amine 1-(4-pyridyl)butan-1-amine

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
46.07
TPSA
38.91

LogP / Solubility

WLOGP
1.88
MLOGP
1.65
XLogP3
1
Consensus LogP
1.51
Log S (ESOL)
-2.16
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.15
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.56
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)
-2.3

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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