CAS RN: 1031289-75-4
cis-N1,N1-Dimethylcyclohexane-1,4-diamine dihydrochloride
- Product code: SSC-004555
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
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
1031289-75-4 / 4-N,4-N-dimethylcyclohexane-1,4-diamine;dihydrochloride
N,N-DIMETHYL-CYCLOHEXANE-1,4-DIAMINE DIHYDROCHLORIDE | RefChem:822539 | 108-521-6
Basic Information
CAS
1031289-75-4
Multi CAS
Yes
Molecular Formula
C8H20Cl2N2
Molecular Weight
215.160000
Exact Mass
214.100354
SMILES
CN(C)C1CCC(CC1)N.Cl.Cl
InChI
InChI=1S/C8H18N2.2ClH/c1-10(2)8-5-3-7(9)4-6-8;;/h7-8H,3-6,9H2,1-2H3;2*1H
InChIKey
HRZUCSCEEZQGMI-UHFFFAOYSA-N
Synonyms
N,N-DIMETHYL-CYCLOHEXANE-1,4-DIAMINE DIHYDROCHLORIDE
RefChem:822539
108-521-6
N1,N1-Dimethylcyclohexane-1,4-diamine dihydrochloride
MFCD08752578
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
58.41
TPSA
29.26
LogP / Solubility
WLOGP
1.66
MLOGP
1.46
XLogP3
1.66
Consensus LogP
1.59
Log S (ESOL)
-2.15
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.52
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.56
Class (SILICOS-IT)
Moderately 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)
-2.85
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501
