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CAS 872716-75-1 1-Boc-3-(Methylaminomethyl)-pyrrolidine molecular structure lightbox
CAS RN: 872716-75-1

1-Boc-3-(Methylaminomethyl)-pyrrolidine

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250920 1g In stock Inquiry
Batchno.20251207 250mg In stock Inquiry
Batchno.20250806 5g In stock Inquiry
  • Product code: SSC-197055
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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: ＞97%
  • 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 872716-75-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

872716-75-1 / tert-butyl (3R)-3-(methylaminomethyl)pyrrolidine-1-carboxylate

Standard CAS: 872716-75-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
872716-75-1
Multi CAS
Yes
Molecular Formula
C11H22N2O2
Molecular Weight
214.300000
Exact Mass
214.168128
InChI
InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-6-5-9(8-13)7-12-4/h9,12H,5-8H2,1-4H3
InChIKey
WUTNESNBEPKXRB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.91
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
59.84
TPSA
41.57

LogP / Solubility

WLOGP
1.46
MLOGP
1.29
XLogP3
1.1
Consensus LogP
1.28
Log S (ESOL)
-1.96
Class (ESOL)
Soluble
Log S (Ali)
-2.37
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.51
Class (SILICOS-IT)
Moderately 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)
-2.99

Drug-likeness / Medicinal Chemistry

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

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