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CAS 13484-37-2 1-(2-PHENOXYETHYL)-PIPERAZINE molecular structure lightbox
CAS RN: 13484-37-2

1-(2-PHENOXYETHYL)-PIPERAZINE

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Batchno.20250105 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS13484-37-2
  • Purity/Analytical Methods: >99.0%
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13484-37-2 / 1-(2-phenoxyethyl)piperazine

Standard CAS: 13484-37-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
13484-37-2
Multi CAS
No
Molecular Formula
C12H18N2O
Molecular Weight
206.280000
Exact Mass
206.141913
SMILES
C1CN(CCN1)CCOC2=CC=CC=C2
InChI
InChI=1S/C12H18N2O/c1-2-4-12(5-3-1)15-11-10-14-8-6-13-7-9-14/h1-5,13H,6-11H2
InChIKey
PTJSLCXRMMGRLY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
61.25
TPSA
24.5

LogP / Solubility

WLOGP
0.97
MLOGP
0.85
XLogP3
1.3
Consensus LogP
1.04
Log S (ESOL)
-1.76
Class (ESOL)
Soluble
Log S (Ali)
-1.95
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.29
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.29

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302+H312+H332 (33.3%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation] H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (66.7%): Harmful in contact with skin [Warning Acute toxicity, dermal] H314 (33.3%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement Codes
P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P362+P364, P363, P403+P233, P405, and P501

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