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CAS 79513-35-2 N-BOC-ETHYLENEDIAMINE HYDROCHLORIDE molecular structure lightbox
CAS RN: 79513-35-2

N-BOC-ETHYLENEDIAMINE HYDROCHLORIDE

Product Availability

Choose a grade to view its available package options.

8 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250525 100g In stock Shanghai Inquiry
Batchno.20250109 10g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20260502 1g In stock Shanghai, Tianjin, Wuhan Inquiry
Batchno.20250429 250mg In stock Shanghai, Chengdu Inquiry
Batchno.20260226 25g In stock Shanghai Inquiry
Batchno.20250128 500g Out of stock Inquiry
Batchno.20260418 5g In stock Shanghai, Shenzhen Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250521 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong, Chongqing Inquiry
  • Product code: SSC-188657
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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: 25g, 100g
  • 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 79513-35-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥97% 0 Out of Stock Shenzhen Inquiry
100g ≥97% 0 Out of Stock Beijing Inquiry

79513-35-2 / tert-butyl N-(2-aminoethyl)carbamate;hydrochloride

Standard CAS: 79513-35-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
79513-35-2
Multi CAS
Yes
Molecular Formula
C7H17CLN2O2
Molecular Weight
196.670000
Exact Mass
196.097856
InChI
InChI=1S/C7H16N2O2.ClH/c1-7(2,3)11-6(10)9-5-4-8;/h4-5,8H2,1-3H3,(H,9,10);1H
InChIKey
XUHJJLCKXZTUJN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.86
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
50.54
TPSA
64.35

LogP / Solubility

WLOGP
0.89
MLOGP
0.78
XLogP3
0.89
Consensus LogP
0.85
Log S (ESOL)
-1.49
Class (ESOL)
Soluble
Log S (Ali)
-1.82
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.92
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)
-3.29

Drug-likeness / Medicinal Chemistry

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

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