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CAS 1004538-33-3 (R)-1-BOC-3-DIMETHYLAMINOPYRROLIDINE molecular structure lightbox
CAS RN: 1004538-33-3

(R)-1-BOC-3-DIMETHYLAMINOPYRROLIDINE

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251126 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-001031
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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 1004538-33-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

1004538-33-3 / tert-butyl (3R)-3-(dimethylamino)pyrrolidine-1-carboxylate

N-Boc-1,4-cyclohexanediamine | cis tert-Butyl 4-aminocyclohexylcarbamate | tert-butyl N-[(1r,4r)-4-aminocyclohexyl]carbamate

Standard CAS: 1004538-33-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1004538-33-3
Multi CAS
Yes
Molecular Formula
C11H22N2O2
Molecular Weight
214.300000
Exact Mass
214.168128
SMILES
CC(C)(C)OC(=O)N1CC[C@H](C1)N(C)C
InChI
InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-7-6-9(8-13)12(4)5/h9H,6-8H2,1-5H3/t9-/m1/s1
InChIKey
SOFNSBHMEVBTNR-SECBINFHSA-N
Synonyms
N-Boc-1,4-cyclohexanediamine cis tert-Butyl 4-aminocyclohexylcarbamate tert-butyl N-[(1r,4r)-4-aminocyclohexyl]carbamate tert-butyl N-((1r,4r)-4-aminocyclohexyl)carbamate RefChem:577249

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.91
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
59.9
TPSA
32.78

LogP / Solubility

WLOGP
1.56
MLOGP
1.37
XLogP3
1.3
Consensus LogP
1.41
Log S (ESOL)
-2.08
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.44
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.47
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)
-2.92

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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