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CAS 893750-62-4 4-(AMINOMETHYL)-1-TERT-BUTYL-2-PYRROLIDINONE molecular structure lightbox
CAS RN: 893750-62-4

4-(AMINOMETHYL)-1-TERT-BUTYL-2-PYRROLIDINONE

  • Product code: SSC-201341
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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: 5g
  • 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 893750-62-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

893750-62-4 / 4-(aminomethyl)-1-tert-butylpyrrolidin-2-one

Standard CAS: 893750-62-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
893750-62-4
Multi CAS
No
Molecular Formula
C9H18N2O
Molecular Weight
170.250000
Exact Mass
170.141913
InChI
InChI=1S/C9H18N2O/c1-9(2,3)11-6-7(5-10)4-8(11)12/h7H,4-6,10H2,1-3H3
InChIKey
OEXQKGOAZYILFN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.89
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
48.63
TPSA
46.33

LogP / Solubility

WLOGP
0.59
MLOGP
0.52
XLogP3
-0.3
Consensus LogP
0.27
Log S (ESOL)
-1.2
Class (ESOL)
Soluble
Log S (Ali)
-1.38
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.38
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)
-3.34

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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