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CAS 107938-04-5 Piperazine, 1-(1,1-dimethylethyl)-4-nitroso- (9CI) molecular structure lightbox
CAS RN: 107938-04-5

Piperazine, 1-(1,1-dimethylethyl)-4-nitroso- (9CI)

  • Product code: SSC-009240
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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 107938-04-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Beijing Inquiry

107938-04-5 / 1-tert-butyl-4-nitrosopiperazine

1-TERT-BUTYL-4-NITROSOPIPERAZINE | DTXSID40547303 | RefChem:235426

Standard CAS: 107938-04-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
107938-04-5
Multi CAS
No
Molecular Formula
C8H17N3O
Molecular Weight
171.240000
Exact Mass
171.137162
SMILES
CC(C)(C)N1CCN(CC1)N=O
InChI
InChI=1S/C8H17N3O/c1-8(2,3)10-4-6-11(9-12)7-5-10/h4-7H2,1-3H3
InChIKey
QEXFGMQSLGQHJS-UHFFFAOYSA-N
Synonyms
1-TERT-BUTYL-4-NITROSOPIPERAZINE DTXSID40547303 RefChem:235426 DTXCID80498087 1-(tert-Butyl)-4-nitrosopiperazine

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
48.69
TPSA
35.91

LogP / Solubility

WLOGP
1.08
MLOGP
0.95
XLogP3
1.2
Consensus LogP
1.08
Log S (ESOL)
-1.52
Class (ESOL)
Soluble
Log S (Ali)
-1.75
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.79
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

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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