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CAS 186550-13-0 3-Amino-1-(tert-butoxycarbonyl)pyrrolidine molecular structure lightbox
CAS RN: 186550-13-0

3-Amino-1-(tert-butoxycarbonyl)pyrrolidine

  • Product code: SSC-086670
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 25g, 10g, 100g, 5g
  • Available purity: >97%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 186550-13-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 5 In Stock Shenzhen Inquiry
25g >97% 5 In Stock Shanghai Inquiry
10g >97% 4 In Stock Hong Kong Inquiry
100g >97% 3 In Stock Hong Kong Inquiry
5g >97% 2 In Stock Shanghai Inquiry

186550-13-0 / tert-butyl 3-aminopyrrolidine-1-carboxylate

Standard CAS: 186550-13-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
186550-13-0
Multi CAS
No
Molecular Formula
C9H18N2O2
Molecular Weight
186.250000
Exact Mass
186.136828
SMILES
CC(C)(C)OC(=O)N1CCC(C1)N
InChI
InChI=1S/C9H18N2O2/c1-9(2,3)13-8(12)11-5-4-7(10)6-11/h7H,4-6,10H2,1-3H3
InChIKey
CMIBWIAICVBURI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.89
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
50.4
TPSA
55.56

LogP / Solubility

WLOGP
0.95
MLOGP
0.84
XLogP3
0.4
Consensus LogP
0.73
Log S (ESOL)
-1.6
Class (ESOL)
Soluble
Log S (Ali)
-1.78
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.66
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)
-3.18

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Corrosive Acute Toxic
Signal
Danger
GHS Hazard Statements
H301 (84%): Toxic if swallowed [Danger Acute toxicity, oral] H314 (10%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H318 (86%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P260, P264, P264+P265, P270, P280, P301+P316, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, and P501

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