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CAS 2108550-78-1 tert-Butyl 4-hydrazinylpiperidine-1-carboxylate molecular structure lightbox
CAS RN: 2108550-78-1

tert-Butyl 4-hydrazinylpiperidine-1-carboxylate

  • Product code: SSC-100530
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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 2108550-78-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

2108550-78-1 / tert-butyl 4-hydrazinylpiperidine-1-carboxylate;oxalic acid

Standard CAS: 2108550-78-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2108550-78-1
Multi CAS
No
Molecular Formula
C12H23N3O6
Molecular Weight
305.330000
Exact Mass
305.158685
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)NN.C(=O)(C(=O)O)O
InChI
InChI=1S/C10H21N3O2.C2H2O4/c1-10(2,3)15-9(14)13-6-4-8(12-11)5-7-13;3-1(4)2(5)6/h8,12H,4-7,11H2,1-3H3;(H,3,4)(H,5,6)
InChIKey
ZULXWWCUXZJBKD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Fraction Csp3
0.75
Rotatable bonds
1
H-bond acceptors
6
H-bond donors
4
Molar refractivity
73.42
TPSA
142.19

LogP / Solubility

MLOGP
0.02
Consensus LogP
0.01
Log S (ESOL)
-1.67
Class (ESOL)
Soluble
Log S (Ali)
-2.07
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.77
Class (SILICOS-IT)
Soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.58

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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