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CAS 1159823-02-5 1-(3-Pyridyl)ethylaMine 2HCl molecular structure lightbox
CAS RN: 1159823-02-5

1-(3-Pyridyl)ethylaMine 2HCl

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251221 100mg / 250mg / 1g / 5g / 25g Out of stock 8-10 business days Inquiry
  • Product code: SSC-015902
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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: ＞97%
  • 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 1159823-02-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

1159823-02-5 / 1-pyridin-3-ylethanamine;dihydrochloride

1-(Pyridin-3-yl)ethanamine dihydrochloride | 1-(3-Pyridyl)ethylamine 2HCl | 1-PYRIDIN-3-YL-ETHYLAMINE DIHYDROCHLORIDE

Standard CAS: 1159823-02-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1159823-02-5
Multi CAS
No
Molecular Formula
C7H12Cl2N2
Molecular Weight
195.090000
Exact Mass
194.037754
SMILES
CC(C1=CN=CC=C1)N.Cl.Cl
InChI
InChI=1S/C7H10N2.2ClH/c1-6(8)7-3-2-4-9-5-7;;/h2-6H,8H2,1H3;2*1H
InChIKey
FSDMOCFYBMVHLU-UHFFFAOYSA-N
Synonyms
1-(Pyridin-3-yl)ethanamine dihydrochloride 1-(3-Pyridyl)ethylamine 2HCl 1-PYRIDIN-3-YL-ETHYLAMINE DIHYDROCHLORIDE MFCD09028141 1-pyridin-3-ylethanamine;dihydrochloride

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
51.34
TPSA
38.91

LogP / Solubility

WLOGP
1.94
MLOGP
1.71
XLogP3
1.94
Consensus LogP
1.86
Log S (ESOL)
-2.61
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.56
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.66
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)
-2.53

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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