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CAS 113534-02-4 4-Cyanopiperazine-1-carboxylic acid tert-butyl ester molecular structure lightbox
CAS RN: 113534-02-4

4-Cyanopiperazine-1-carboxylic acid tert-butyl ester

Product Availability

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6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250808 100mg In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20260513 10g In stock Shanghai, Tianjin Inquiry
Batchno.20250604 1g In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20251229 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250627 25g In stock Shanghai, Shenzhen Inquiry
Batchno.20260312 5g In stock Shanghai Inquiry
  • Product code: SSC-013651
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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: 1g
  • 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 113534-02-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

113534-02-4 / tert-butyl 4-cyanopiperazine-1-carboxylate

tert-butyl 4-cyanopiperazine-1-carboxylate | DTXSID70555370 | RefChem:383604

Standard CAS: 113534-02-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
113534-02-4
Multi CAS
No
Molecular Formula
C10H17N3O2
Molecular Weight
211.260000
Exact Mass
211.132077
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C#N
InChI
InChI=1S/C10H17N3O2/c1-10(2,3)15-9(14)13-6-4-12(8-11)5-7-13/h4-7H2,1-3H3
InChIKey
GDPSCFYDXPEIEE-UHFFFAOYSA-N
Synonyms
tert-butyl 4-cyanopiperazine-1-carboxylate DTXSID70555370 RefChem:383604 DTXCID00506153 824-662-2

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.8
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
54.99
TPSA
56.57

LogP / Solubility

WLOGP
1.02
MLOGP
0.9
XLogP3
1.2
Consensus LogP
1.04
Log S (ESOL)
-1.79
Class (ESOL)
Soluble
Log S (Ali)
-2.03
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.88
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)
-3.28

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] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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