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CAS 1013-25-8 1-(2,5-Dimethylphenyl)piperazine molecular structure lightbox
CAS RN: 1013-25-8

1-(2,5-Dimethylphenyl)piperazine

  • Product code: SSC-002140
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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: 5g
  • 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 1013-25-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞95% 0 Out of Stock Shanghai Inquiry

1013-25-8 / 1-(2,5-dimethylphenyl)piperazine

1-(2,5-Dimethylphenyl)piperazine | 1-(2,5-Xylyl)piperazine | EINECS 213-795-6

Standard CAS: 1013-25-8 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1013-25-8
Multi CAS
Yes
Molecular Formula
C12H18N2
Molecular Weight
190.280000
Exact Mass
190.146999
SMILES
CC1=CC(=C(C=C1)C)N2CCNCC2
InChI
InChI=1S/C12H18N2/c1-10-3-4-11(2)12(9-10)14-7-5-13-6-8-14/h3-4,9,13H,5-8H2,1-2H3
InChIKey
YRIFWVMRUFKWLM-UHFFFAOYSA-N
Synonyms
1-(2,5-Dimethylphenyl)piperazine 1-(2,5-Xylyl)piperazine EINECS 213-795-6 DTXSID20143827 RefChem:420601

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
61
TPSA
15.27

LogP / Solubility

WLOGP
1.71
MLOGP
1.51
XLogP3
2.6
Consensus LogP
1.94
Log S (ESOL)
-2.35
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.36
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.44
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)
-2.66

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Corrosive
Signal
Danger
GHS Hazard Statements
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H318 (16.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501

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