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CAS 170911-92-9 4-(4-Aminophenyl)piperazine-1-carboxylic acid tert-butyl ester molecular structure lightbox
CAS RN: 170911-92-9

4-(4-Aminophenyl)piperazine-1-carboxylic acid tert-butyl ester

Product Availability

Choose a grade to view its available package options.

8 package records8 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250119 100g In stock Shanghai Inquiry
Batchno.20260104 10g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250225 1g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250406 250mg In stock Shanghai, Shenzhen Inquiry
Batchno.20251017 250mg / 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong, Guangdong Inquiry
Batchno.20250825 25g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260524 500g In stock Shanghai Inquiry
Batchno.20260116 5g In stock Shanghai, Shenzhen, Tianjin Inquiry
  • Product code: SSC-075292
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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: 1g, 5g, 10g, 25g, 100g, 500g
  • Available purity: >98%
  • Inventory rows with stock: 5
  • 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 170911-92-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >98% 5 In Stock Shanghai Inquiry
5g >98% 5 In Stock Shenzhen Inquiry
10g >98% 5 In Stock Shenzhen Inquiry
25g >98% 3 In Stock Beijing Inquiry
100g >98% 3 In Stock Hong Kong Inquiry
500g >98% 0 Out of Stock Shenzhen Inquiry

170911-92-9 / tert-butyl 4-(4-aminophenyl)piperazine-1-carboxylate

Standard CAS: 170911-92-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
170911-92-9
Multi CAS
No
Molecular Formula
C15H23N3O2
Molecular Weight
277.360000
Exact Mass
277.179027
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=C(C=C2)N
InChI
InChI=1S/C15H23N3O2/c1-15(2,3)20-14(19)18-10-8-17(9-11-18)13-6-4-12(16)5-7-13/h4-7H,8-11,16H2,1-3H3
InChIKey
RXFHRKPNLPBDGE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
80.87
TPSA
58.8

LogP / Solubility

WLOGP
2.33
MLOGP
2.06
XLogP3
2
Consensus LogP
2.13
Log S (ESOL)
-3.18
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.51
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.51
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)
-2.76

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
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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