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CAS 1016971-66-6 tert-butyl (1R,2R)-2-aMinocyclopentylcarbaMate molecular structure lightbox
CAS RN: 1016971-66-6

tert-butyl (1R,2R)-2-aMinocyclopentylcarbaMate

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250718 100mg In stock Shanghai Inquiry
Batchno.20260522 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
Batchno.20260211 1g In stock Shanghai Inquiry
Batchno.20260313 250mg In stock Shanghai Inquiry
Batchno.20250204 5g In stock Shanghai Inquiry
  • Product code: SSC-002616
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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 1016971-66-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

1016971-66-6 / tert-butyl N-[(1R,2R)-2-aminocyclopentyl]carbamate

tert-butyl N-[(1R,2R)-2-aminocyclopentyl]carbamate | rac-tert-butyl N-[(1R,2R)-2-aminocyclopentyl]carbamate | tert-butyl N-((1R,2R)-2-aminocyclopentyl)carbamate

Standard CAS: 1016971-66-6 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1016971-66-6
Multi CAS
Yes
Molecular Formula
C10H20N2O2
Molecular Weight
200.280000
Exact Mass
200.152478
SMILES
CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1N
InChI
InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-8-6-4-5-7(8)11/h7-8H,4-6,11H2,1-3H3,(H,12,13)/t7-,8-/m1/s1
InChIKey
PAXDIBGWURAVIH-HTQZYQBOSA-N
Synonyms
tert-butyl N-[(1R,2R)-2-aminocyclopentyl]carbamate rac-tert-butyl N-[(1R,2R)-2-aminocyclopentyl]carbamate tert-butyl N-((1R,2R)-2-aminocyclopentyl)carbamate rac-tert-butyl N-((1R,2R)-2-aminocyclopentyl)carbamate RefChem:874940

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.9
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
54.98
TPSA
64.35

LogP / Solubility

WLOGP
1.39
MLOGP
1.22
XLogP3
1
Consensus LogP
1.2
Log S (ESOL)
-1.89
Class (ESOL)
Soluble
Log S (Ali)
-2.21
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.24
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)
-2.95

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger Warning
GHS Hazard Statements
H314 (95.1%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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