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CAS 193206-49-4 N1-BOC-2 2′-IMINODIETHYLAMINE molecular structure lightbox
CAS RN: 193206-49-4

N1-BOC-2 2′-IMINODIETHYLAMINE

  • Product code: SSC-090369
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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 193206-49-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

193206-49-4 / tert-butyl N-[2-(2-aminoethylamino)ethyl]carbamate

Standard CAS: 193206-49-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
193206-49-4
Multi CAS
No
Molecular Formula
C9H21N3O2
Molecular Weight
203.280000
Exact Mass
203.163377
SMILES
CC(C)(C)OC(=O)NCCNCCN
InChI
InChI=1S/C9H21N3O2/c1-9(2,3)14-8(13)12-7-6-11-5-4-10/h11H,4-7,10H2,1-3H3,(H,12,13)
InChIKey
KQXGYFNJIMVFDT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.89
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
3
Molar refractivity
56.16
TPSA
76.38

LogP / Solubility

WLOGP
0.06
MLOGP
0.05
XLogP3
-0.4
Consensus LogP
-0.1
Log S (ESOL)
-0.81
Class (ESOL)
Very soluble
Log S (Ali)
-1.27
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.63
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)
-3.92

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Precautionary Statement Codes
P260, P261, P264, P272, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P333+P317, P362+P364, P363, P405, and P501

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