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CAS 462066-61-1 1-Piperazineethanol,4-methyl–alpha–[(methylamino)methyl]-(9CI) molecular structure lightbox
CAS RN: 462066-61-1

1-Piperazineethanol,4-methyl–alpha–[(methylamino)methyl]-(9CI)

  • Product code: SSC-153750
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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: 0.1g, 0.25g, 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 462066-61-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Hong Kong Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

462066-61-1 / 1-(methylamino)-3-(4-methylpiperazin-1-yl)propan-2-ol

Standard CAS: 462066-61-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
462066-61-1
Multi CAS
Yes
Molecular Formula
C9H21N3O
Molecular Weight
187.280000
Exact Mass
187.168462
InChI
InChI=1S/C9H21N3O/c1-10-7-9(13)8-12-5-3-11(2)4-6-12/h9-10,13H,3-8H2,1-2H3
InChIKey
VCDXYRUOTHQYNM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
53.87
TPSA
38.74

LogP / Solubility

WLOGP
-1.19
MLOGP
-1.05
XLogP3
-1
Consensus LogP
-1.08
Log S (ESOL)
0.01
Class (ESOL)
Highly soluble
Log S (Ali)
-0.24
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.37
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.7

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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