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CAS 144-29-6 Piperazine Citrate Hydrate molecular structure lightbox
CAS RN: 144-29-6

Piperazine Citrate Hydrate

  • Product code: SSC-055257
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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: 100g
  • 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 144-29-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥95% 0 Out of Stock Hong Kong Inquiry

144-29-6 / bis(2-hydroxypropane-1,2,3-tricarboxylic acid);piperazine

Standard CAS: 144-29-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
144-29-6
Multi CAS
No
Molecular Formula
C24H46N6O14
Molecular Weight
642.700000
Exact Mass
642.307200
SMILES
C1CNCCN1.C1CNCCN1.C1CNCCN1.C(C(=O)O)C(CC(=O)O)(C(=O)O)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
InChI
InChI=1S/2C6H8O7.3C4H10N2/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;3*1-2-6-4-3-5-1/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);3*5-6H,1-4H2
InChIKey
JDDHUROHDHPVIO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
44
Fraction Csp3
0.75
Rotatable bonds
10
H-bond acceptors
14
H-bond donors
14
Molar refractivity
151.4
TPSA
336.44

LogP / Solubility

WLOGP
-4.96
MLOGP
-4.31
XLogP3
-4.96
Consensus LogP
-4.74
Log S (ESOL)
-0.04
Class (ESOL)
Very soluble
Log S (Ali)
-1.25
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.92
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-10.16

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
4

Safety & Transport

Pictogram(s)
Corrosive Irritant Acute Toxic Health Hazard
Signal
Danger
GHS Hazard Statements
H302 (60%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (40%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (60%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H319 (40%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (40%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 P203, P233, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P302+P352, P304+P340, P305+P351+P338, P308+P316, P318, P319, P321, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P405, and P501

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