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CAS 556082-02-1 N’-boc-2,2′-diaMinodiethylaMine molecular structure lightbox
CAS RN: 556082-02-1

N’-boc-2,2′-diaMinodiethylaMine

  • Product code: SSC-163544
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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 556082-02-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Hong Kong Inquiry

556082-02-1 / tert-butyl N,N-bis(2-aminoethyl)carbamate

Standard CAS: 556082-02-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
556082-02-1
Multi CAS
No
Molecular Formula
C9H21N3O2
Molecular Weight
203.280000
Exact Mass
203.163377
InChI
InChI=1S/C9H21N3O2/c1-9(2,3)14-8(13)12(6-4-10)7-5-11/h4-7,10-11H2,1-3H3
InChIKey
VORKTMXRWZVRLA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.89
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
55.92
TPSA
81.58

LogP / Solubility

WLOGP
0.14
MLOGP
0.12
XLogP3
-0.8
Consensus LogP
-0.18
Log S (ESOL)
-0.93
Class (ESOL)
Very soluble
Log S (Ali)
-1.33
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.58
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.86

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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