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CAS 13339-01-0 1-(2-ETHOXYPHENYL)PIPERAZINE molecular structure lightbox
CAS RN: 13339-01-0

1-(2-ETHOXYPHENYL)PIPERAZINE

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3 package records2 with current stock1 grade group
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Batchno.20250713 1g In stock Inquiry
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  • Product code: starshine_CAS13339-01-0
  • Purity/Analytical Methods: >99.0%
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13339-01-0 / 1-(2-ethoxyphenyl)piperazine

Standard CAS: 13339-01-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
13339-01-0
Multi CAS
No
Molecular Formula
C12H18N2O
Molecular Weight
206.280000
Exact Mass
206.141913
SMILES
CCOC1=CC=CC=C1N2CCNCC2
InChI
InChI=1S/C12H18N2O/c1-2-15-12-6-4-3-5-11(12)14-9-7-13-8-10-14/h3-6,13H,2,7-10H2,1H3
InChIKey
FBQIUSDQWOLCNY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
62.69
TPSA
24.5

LogP / Solubility

WLOGP
1.49
MLOGP
1.32
XLogP3
1.7
Consensus LogP
1.5
Log S (ESOL)
-2.16
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.33
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.6
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)
-2.92

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)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation] H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement Codes
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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