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CAS 1306610-31-0 tert-butyl 3-amino-2,3-dimethylbutan-2-ylcarbamate molecular structure lightbox
CAS RN: 1306610-31-0

tert-butyl 3-amino-2,3-dimethylbutan-2-ylcarbamate

  • Product code: SSC-037259
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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: 0.1g, 0.25g, 1g, 5g
  • 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 1306610-31-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥97% 0 Out of Stock Shenzhen Inquiry
0.25g ≥97% 0 Out of Stock Hong Kong Inquiry
1g ≥97% 0 Out of Stock Beijing Inquiry
5g ≥97% 0 Out of Stock Shanghai Inquiry

1306610-31-0 / tert-butyl N-(3-amino-2,3-dimethylbutan-2-yl)carbamate

Standard CAS: 1306610-31-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1306610-31-0
Multi CAS
No
Molecular Formula
C11H24N2O2
Molecular Weight
216.320000
Exact Mass
216.183778
SMILES
CC(C)(C)OC(=O)NC(C)(C)C(C)(C)N
InChI
InChI=1S/C11H24N2O2/c1-9(2,3)15-8(14)13-11(6,7)10(4,5)12/h12H2,1-7H3,(H,13,14)
InChIKey
XESYPBHHGHNDEQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.91
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
61.72
TPSA
64.35

LogP / Solubility

WLOGP
2.03
MLOGP
1.79
XLogP3
1.2
Consensus LogP
1.67
Log S (ESOL)
-2.33
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.8
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.99
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)
-2.6

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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