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CAS 916519-04-5 1-Piperazinamine, 4-(1,1-dimethylethyl)- molecular structure lightbox
CAS RN: 916519-04-5

1-Piperazinamine, 4-(1,1-dimethylethyl)-

  • Product code: SSC-205009
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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 916519-04-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Beijing Inquiry

916519-04-5 / 4-tert-butylpiperazin-1-amine

Standard CAS: 916519-04-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
916519-04-5
Multi CAS
No
Molecular Formula
C8H19N3
Molecular Weight
157.260000
Exact Mass
157.157898
InChI
InChI=1S/C8H19N3/c1-8(2,3)10-4-6-11(9)7-5-10/h4-7,9H2,1-3H3
InChIKey
WCBAPYRZBPDOMC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
47.09
TPSA
32.5

LogP / Solubility

WLOGP
0.28
MLOGP
0.24
XLogP3
0.3
Consensus LogP
0.27
Log S (ESOL)
-0.99
Class (ESOL)
Very soluble
Log S (Ali)
-1.05
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.91
Class (SILICOS-IT)
Very 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)
-3.48

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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