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CAS 23578-35-0 2,5-dimethylhexane-2,5-diamine molecular structure lightbox
CAS RN: 23578-35-0

2,5-dimethylhexane-2,5-diamine

  • Product code: SSC-114690
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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 23578-35-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

23578-35-0 / 2,5-dimethylhexane-2,5-diamine

Standard CAS: 23578-35-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
23578-35-0
Multi CAS
No
Molecular Formula
C8H20N2
Molecular Weight
144.260000
Exact Mass
144.162649
SMILES
CC(C)(CCC(C)(C)N)N
InChI
InChI=1S/C8H20N2/c1-7(2,9)5-6-8(3,4)10/h5-6,9-10H2,1-4H3
InChIKey
JWTVQZQPKHXGFM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
45.77
TPSA
52.04

LogP / Solubility

WLOGP
1.24
MLOGP
1.09
XLogP3
0.3
Consensus LogP
0.88
Log S (ESOL)
-1.32
Class (ESOL)
Soluble
Log S (Ali)
-1.64
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.99
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)
-2.72

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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