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CAS 106-59-2 1,4-diaminopiperazine hydrate molecular structure lightbox
CAS RN: 106-59-2

1,4-diaminopiperazine hydrate

  • Product code: SSC-007653
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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 106-59-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shanghai Inquiry

106-59-2 / piperazine-1,4-diamine

1,4-Diaminopiperazine | 1,4-Piperazinediamine | DTXSID60147460

Standard CAS: 106-59-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
106-59-2
Multi CAS
No
Molecular Formula
C4H12N4
Molecular Weight
116.170000
Exact Mass
116.106196
SMILES
C1CN(CCN1N)N
InChI
InChI=1S/C4H12N4/c5-7-1-2-8(6)4-3-7/h1-6H2
InChIKey
PVCOXMQIAVGPJN-UHFFFAOYSA-N
Synonyms
1,4-Diaminopiperazine 1,4-Piperazinediamine DTXSID60147460 RefChem:1053374 DTXCID6069951

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
31.52
TPSA
58.52

LogP / Solubility

WLOGP
-1.65
MLOGP
-1.46
XLogP3
-1.4
Consensus LogP
-1.5
Log S (ESOL)
0.48
Class (ESOL)
Highly soluble
Log S (Ali)
0.68
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.95
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)
-4.6

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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