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CAS 57166-92-4 METHYLENEDIAMINE DIHYDROCHLORIDE molecular structure lightbox
CAS RN: 57166-92-4

METHYLENEDIAMINE DIHYDROCHLORIDE

  • Product code: SSC-165269
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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: 5g
  • 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 57166-92-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

57166-92-4 / methanediamine;dihydrochloride

Standard CAS: 57166-92-4 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
57166-92-4
Multi CAS
Yes
Molecular Formula
CH8CL2N2
Molecular Weight
118.990000
Exact Mass
118.006454
InChI
InChI=1S/CH6N2.2ClH/c2-1-3;;/h1-3H2;2*1H
InChIKey
QCYJCJJCNRIMNG-UHFFFAOYSA-N

Physical Properties

Melting Point
Starts decomposing at approximately 275 °F (NTP, 1992)
Physical Description
Methylenediamine dihydrochloride is a white granular solid. Decomposes at approximately 275 °F (changes to white puffy solid), then slowly darkens until total decomposition at approximately 464 °F. (NTP, 1992)
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
5
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
27.74
TPSA
52.04

LogP / Solubility

WLOGP
-0.3
MLOGP
-0.27
XLogP3
-0.3
Consensus LogP
-0.29
Log S (ESOL)
-0.39
Class (ESOL)
Very soluble
Log S (Ali)
-0.32
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.19
Class (SILICOS-IT)
Very 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)
-3.66

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

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