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CAS 1060811-56-4 1-(6-Bromo-pyridin-3-yl)-ethylamine molecular structure lightbox
CAS RN: 1060811-56-4

1-(6-Bromo-pyridin-3-yl)-ethylamine

  • Product code: SSC-007832
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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 1060811-56-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1060811-56-4 / 1-(6-bromo-3-pyridinyl)ethanamine

1-(6-BROMOPYRIDIN-3-YL)ETHANAMINE | 1-(6-BROMO-PYRIDIN-3-YL)-ETHYLAMINE | MFCD13188875

Standard CAS: 1060811-56-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1060811-56-4
Multi CAS
No
Molecular Formula
C7H9BrN2
Molecular Weight
201.060000
Exact Mass
199.994910
SMILES
CC(C1=CN=C(C=C1)Br)N
InChI
InChI=1S/C7H9BrN2/c1-5(9)6-2-3-7(8)10-4-6/h2-5H,9H2,1H3
InChIKey
COGGCXWSBTVYEV-UHFFFAOYSA-N
Synonyms
1-(6-BROMOPYRIDIN-3-YL)ETHANAMINE 1-(6-BROMO-PYRIDIN-3-YL)-ETHYLAMINE MFCD13188875 1-(6-BROMOPYRIDIN-3-YL)ETHAN-1-AMINE 1-(6-Bromo-3-pyridyl)ethanamine

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
44.54
TPSA
38.91

LogP / Solubility

WLOGP
1.86
MLOGP
1.64
XLogP3
1.1
Consensus LogP
1.53
Log S (ESOL)
-2.64
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.55
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.63
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)
-2.62

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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