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CAS 691394-08-8 Piperazine, 1-(3-amino-1-oxopropyl)- (9CI) molecular structure lightbox
CAS RN: 691394-08-8

Piperazine, 1-(3-amino-1-oxopropyl)- (9CI)

  • Product code: SSC-178762
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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: ≥98%
  • 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 691394-08-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Shanghai Inquiry

691394-08-8 / 3-amino-1-piperazin-1-ylpropan-1-one

Standard CAS: 691394-08-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
691394-08-8
Multi CAS
No
Molecular Formula
C7H15N3O
Molecular Weight
157.210000
Exact Mass
157.121512
InChI
InChI=1S/C7H15N3O/c8-2-1-7(11)10-5-3-9-4-6-10/h9H,1-6,8H2
InChIKey
KIPRVSOTALWIDV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.86
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
43.12
TPSA
58.36

LogP / Solubility

WLOGP
-1.23
MLOGP
-1.09
XLogP3
-1.9
Consensus LogP
-1.41
Log S (ESOL)
0.09
Class (ESOL)
Highly soluble
Log S (Ali)
0.04
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.1
Class (SILICOS-IT)
Highly 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)
-4.55

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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