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CAS 878799-20-3 1-BOC-AMINO-BUTYL-3-AMINE molecular structure lightbox
CAS RN: 878799-20-3

1-BOC-AMINO-BUTYL-3-AMINE

  • Product code: SSC-198234
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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: ≥95%
  • 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 878799-20-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

878799-20-3 / tert-butyl N-(3-aminobutyl)carbamate

Standard CAS: 878799-20-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
878799-20-3
Multi CAS
Yes
Molecular Formula
C9H20N2O2
Molecular Weight
188.270000
Exact Mass
188.152478
InChI
InChI=1S/C9H20N2O2/c1-7(10)5-6-11-8(12)13-9(2,3)4/h7H,5-6,10H2,1-4H3,(H,11,12)
InChIKey
MSCLVLGMLLYXFV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.89
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
52.5
TPSA
64.35

LogP / Solubility

WLOGP
1.25
MLOGP
1.1
XLogP3
0.8
Consensus LogP
1.05
Log S (ESOL)
-1.6
Class (ESOL)
Soluble
Log S (Ali)
-2.01
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.28
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)
-2.98

Drug-likeness / Medicinal Chemistry

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

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