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CAS 118753-66-5 1-TERT-BUTYLOXYCARBONYL-4-AMINO-PIPERAZINE molecular structure lightbox
CAS RN: 118753-66-5

1-TERT-BUTYLOXYCARBONYL-4-AMINO-PIPERAZINE

Product Availability

Choose a grade to view its available package options.

6 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250630 100mg In stock Shanghai Inquiry
Batchno.20250322 10g In stock Shanghai Inquiry
Batchno.20250912 1g In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20260519 250mg In stock Shanghai, Wuhan Inquiry
Batchno.20250927 25g Out of stock Inquiry
Batchno.20250103 5g In stock Shanghai Inquiry
  • Product code: SSC-018703
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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, 10g, 25g, 100g, 5g
  • Available purity: >95%
  • 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 118753-66-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 5 In Stock Shenzhen Inquiry
10g >95% 3 In Stock Shenzhen Inquiry
25g >95% 3 In Stock Beijing Inquiry
100g >95% 2 In Stock Shenzhen Inquiry
5g >95% 1 In Stock Shanghai Inquiry

118753-66-5 / tert-butyl 4-aminopiperazine-1-carboxylate

TERT-BUTYL 4-AMINOPIPERAZINE-1-CARBOXYLATE | DTXSID80621772 | RefChem:383585

Standard CAS: 118753-66-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
118753-66-5
Multi CAS
No
Molecular Formula
C9H19N3O2
Molecular Weight
201.270000
Exact Mass
201.147727
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)N
InChI
InChI=1S/C9H19N3O2/c1-9(2,3)14-8(13)11-4-6-12(10)7-5-11/h4-7,10H2,1-3H3
InChIKey
QMZFIRHRGPLKEV-UHFFFAOYSA-N
Synonyms
TERT-BUTYL 4-AMINOPIPERAZINE-1-CARBOXYLATE DTXSID80621772 RefChem:383585 DTXCID10572526 858-598-1

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.89
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
53.57
TPSA
58.8

LogP / Solubility

WLOGP
0.41
MLOGP
0.36
XLogP3
0.2
Consensus LogP
0.32
Log S (ESOL)
-1.35
Class (ESOL)
Soluble
Log S (Ali)
-1.51
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.31
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)
-3.65

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
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] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): 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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