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CAS 111373-03-6 2-(1-Piperazinyl)benzonitrile molecular structure lightbox
CAS RN: 111373-03-6

2-(1-Piperazinyl)benzonitrile

Product Availability

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4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251022 1g In stock Inquiry
Batchno.20260206 25g In stock Inquiry
Batchno.20250626 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250709 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-012134
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 5g, 1g, 10g, 25g, 0.1g, 0.25g, 100g
  • Available purity: >97%
  • Inventory rows with stock: 7
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 111373-03-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >97% 4 In Stock Hong Kong Inquiry
1g >97% 3 In Stock Beijing Inquiry
10g >97% 2 In Stock Shenzhen Inquiry
25g >97% 2 In Stock Beijing Inquiry
0.1g >97% 1 In Stock Shenzhen Inquiry
0.25g >97% 1 In Stock Beijing Inquiry
100g >97% 1 In Stock Shanghai Inquiry

111373-03-6 / 2-piperazin-1-ylbenzonitrile

4-(piperazin-1-yl)benzonitrile | 4-(1-Piperazinyl)benzonitrile | DTXSID70987576

Standard CAS: 111373-03-6 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
111373-03-6
Multi CAS
Yes
Molecular Formula
C11H13N3
Molecular Weight
187.240000
Exact Mass
187.110947
SMILES
C1CN(CCN1)C2=CC=CC=C2C#N
InChI
InChI=1S/C11H13N3/c12-9-10-3-1-2-4-11(10)14-7-5-13-6-8-14/h1-4,13H,5-8H2
InChIKey
FRICBZWJFIRJOB-UHFFFAOYSA-N
Synonyms
4-(piperazin-1-yl)benzonitrile 4-(1-Piperazinyl)benzonitrile DTXSID70987576 RefChem:516636 DTXCID601414735

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
56.24
TPSA
39.06

LogP / Solubility

WLOGP
0.97
MLOGP
0.85
XLogP3
1.1
Consensus LogP
0.97
Log S (ESOL)
-1.86
Class (ESOL)
Soluble
Log S (Ali)
-1.79
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.8
Class (SILICOS-IT)
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)
-3.18

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)
Flammable Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H226 (87.2%): Flammable liquid and vapor [Warning Flammable liquids] H302 (14.9%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (14.9%): Harmful in contact with skin [Warning Acute toxicity, dermal] H314 (10.6%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H319 (89.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P330, P337+P317, P362+P364, P363, P370+P378, P403+P235, P405, and P501

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