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CAS 119874-79-2 (E)-ethene-1,2-diamine dihydrochloride molecular structure lightbox
CAS RN: 119874-79-2

(E)-ethene-1,2-diamine dihydrochloride

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250418 100mg / 250mg / 500mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-020659
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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 119874-79-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

119874-79-2 / (E)-but-2-ene-1,4-diamine;dihydrochloride

SCHEMBL8340003 | MFCD19687146 | (E)-ethene-1,2-diamine,dihydrochloride

Standard CAS: 119874-79-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
119874-79-2
Multi CAS
Yes
Molecular Formula
C4H12Cl2N2
Molecular Weight
159.050000
Exact Mass
158.037754
SMILES
C(/C=C/CN)N.Cl.Cl
InChI
InChI=1S/C4H10N2.2ClH/c5-3-1-2-4-6;;/h1-2H,3-6H2;2*1H/b2-1+;;
InChIKey
NRGASKMRNHXWEC-SEPHDYHBSA-N
Synonyms
SCHEMBL8340003 MFCD19687146 (E)-ethene-1,2-diamine,dihydrochloride

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
41.74
TPSA
52.04

LogP / Solubility

WLOGP
0.3
MLOGP
0.26
XLogP3
0.3
Consensus LogP
0.29
Log S (ESOL)
-0.89
Class (ESOL)
Very soluble
Log S (Ali)
-1.08
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.19
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)
-3.47

Drug-likeness / Medicinal Chemistry

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

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