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CAS 18534-18-4 Piperazine Phosphate Monohydrate molecular structure lightbox
CAS RN: 18534-18-4

Piperazine Phosphate Monohydrate

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2 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250927 100g In stock Shanghai, Shandong, Hebei Inquiry
Batchno.20250207 500g Out of stock 8-10 business days Inquiry
  • Product code: ICTP0492
  • Purity/Analytical Methods: >98.0%(T)
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18534-18-4 / phosphoric acid;piperazine;hydrate

Standard CAS: 18534-18-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
18534-18-4
Multi CAS
No
Molecular Formula
C4H15N2O5P
Molecular Weight
202.150000
Exact Mass
202.071859
SMILES
C1CNCCN1.O.OP(=O)(O)O
InChI
InChI=1S/C4H10N2.H3O4P.H2O/c1-2-6-4-3-5-1;1-5(2,3)4;/h5-6H,1-4H2;(H3,1,2,3,4);1H2
InChIKey
PMGABIJVFLPSLS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
1
H-bond acceptors
3
H-bond donors
5
Molar refractivity
43.62
TPSA
133.32

LogP / Solubility

WLOGP
-2.57
MLOGP
-2.26
XLogP3
-2.57
Consensus LogP
-2.47
Log S (ESOL)
0.53
Class (ESOL)
Highly soluble
Log S (Ali)
0.64
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.16
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)
-5.78

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Acute Toxic Health Hazard
Signal
Danger
GHS Hazard Statements
H315: Causes skin irritation [Warning Skin corrosion/irritation] H317: May cause an allergic skin reaction [Warning Sensitization, Skin] H319: Causes serious eye irritation [Warning Serious eye damage/eye irritation] H334: May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory] H361fd: Suspected of damaging fertility; Suspected of damaging the unborn child [Warning Reproductive toxicity]
Precautionary Statement Codes
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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