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CAS 1638767-25-5 tert-butyl N-{3-aminobicyclo[1.1.1]pentan-1-yl}carbamate molecular structure lightbox
CAS RN: 1638767-25-5

tert-butyl N-{3-aminobicyclo[1.1.1]pentan-1-yl}carbamate

  • Product code: SSC-071405
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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: 0.25g, 1g, 5g, 10g, 25g, 100g
  • Available purity: >97%
  • Inventory rows with stock: 6
  • 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 1638767-25-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >97% 5 In Stock Hong Kong Inquiry
1g >97% 5 In Stock Shenzhen Inquiry
5g >97% 5 In Stock Shanghai Inquiry
10g >97% 5 In Stock Shenzhen Inquiry
25g >97% 5 In Stock Beijing Inquiry
100g >97% 1 In Stock Hong Kong Inquiry

1638767-25-5 / tert-butyl N-(3-amino-1-bicyclo[1.1.1]pentanyl)carbamate

Standard CAS: 1638767-25-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1638767-25-5
Multi CAS
No
Molecular Formula
C10H18N2O2
Molecular Weight
198.260000
Exact Mass
198.136828
SMILES
CC(C)(C)OC(=O)NC12CC(C1)(C2)N
InChI
InChI=1S/C10H18N2O2/c1-8(2,3)14-7(13)12-10-4-9(11,5-10)6-10/h4-6,11H2,1-3H3,(H,12,13)
InChIKey
WDWZFRPJPZEOBM-UHFFFAOYSA-N

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
52.87
TPSA
64.35

LogP / Solubility

WLOGP
1.14
MLOGP
1.01
XLogP3
0.4
Consensus LogP
0.85
Log S (ESOL)
-1.72
Class (ESOL)
Soluble
Log S (Ali)
-2.01
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.02
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)
-3.12

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (80%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (80%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (60%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
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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