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CAS 119532-26-2 1-(2,3-Dichlorophenyl)piperazine Hydrochloride molecular structure lightbox
CAS RN: 119532-26-2

1-(2,3-Dichlorophenyl)piperazine Hydrochloride

  • Product code: SSC-020068
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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: 25g, 100g
  • Available purity: >97%
  • 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 119532-26-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g >97% 0 Out of Stock Hong Kong Inquiry
100g >97% 0 Out of Stock Shenzhen Inquiry

119532-26-2 / 1-(2,3-dichlorophenyl)piperazine;hydrochloride

1-(2,3-Dichlorophenyl)piperazine hydrochloride | EC 601-621-5 | RefChem:73966

Standard CAS: 119532-26-2 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
119532-26-2
Multi CAS
Yes
Molecular Formula
C10H13Cl3N2
Molecular Weight
267.600000
Exact Mass
266.014432
SMILES
C1CN(CCN1)C2=C(C(=CC=C2)Cl)Cl.Cl
InChI
InChI=1S/C10H12Cl2N2.ClH/c11-8-2-1-3-9(10(8)12)14-6-4-13-5-7-14;/h1-3,13H,4-7H2;1H
InChIKey
CYQFNNSFAGXCEC-UHFFFAOYSA-N
Synonyms
1-(2,3-Dichlorophenyl)piperazine hydrochloride EC 601-621-5 RefChem:73966 601-621-5 630-331-1

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
68.79
TPSA
15.27

LogP / Solubility

WLOGP
2.82
MLOGP
2.49
XLogP3
2.82
Consensus LogP
2.71
Log S (ESOL)
-3.51
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.79
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.86
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.35

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant Environmental Hazard
Signal
Warning
GHS Hazard Statements
H302 (13.4%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (86.6%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (86.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (85.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H400 (10.4%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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