CAS RN: 644958-86-1
(1R,2R)-N,N’-Dimethyl-N,N’-bis(3,3-dimethylbutyl)cyclohexane-1,2-diamine
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock2 grade groups
- Product code: SSC-174217
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 | Hong Kong | Inquiry |
644958-86-1 / trans-(1R,2R)-1-N,2-N-bis(3,3-dimethylbutyl)-1-N,2-N-dimethylcyclohexane-1,2-diamine
Basic Information
CAS
644958-86-1
Multi CAS
Yes
Molecular Formula
C20H42N2
Molecular Weight
310.600000
Exact Mass
310.334799
InChI
InChI=1S/C20H42N2/c1-19(2,3)13-15-21(7)17-11-9-10-12-18(17)22(8)16-14-20(4,5)6/h17-18H,9-16H2,1-8H3/t17-,18-/m1/s1
InChIKey
VGCWVKVNKNXOGZ-QZTJIDSGSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Fraction Csp3
1
Rotatable bonds
6
H-bond acceptors
2
Molar refractivity
99.45
TPSA
6.48
LogP / Solubility
WLOGP
5.03
MLOGP
4.44
XLogP3
5.8
Consensus LogP
5.09
Log S (ESOL)
-4.54
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.74
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.58
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.04
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
Customers Also Viewed
-
-
(S)-(+)-(3,5-Dioxa-4-phosphacyclohepta[2,1-a;3,4-a’]dinaphthalen-4-yl)dimethylamine
- CAS RN: 185449-80-3
- Product Code: SSC-085839
-
(1S,2S)-N,N’-Dimethyl-N,N’-bis(3,3-dimethylbutyl)cyclohexane-1,2-diamine
- CAS RN: 767291-67-8
- Product Code: SSC-186159
-
(S,S,S)-(3,5-Dioxa-4-phosphacyclohepta[2,1-a:3,4-a’]dinaphthalen-4-yl)bis(1-phenylethyl)amine
- CAS RN: 209482-27-9
- Product Code: SSC-099246
-
2,4-Dibromo-6-[(E)-[[(1R,2R)-2-(isoindolin-2-yl)-1,2-diphenylethyl]imino]methyl]phenol
- CAS RN: 1420042-07-4
- Product Code: ICTD5160
- Purity/Analytical method: >93.0%(HPLC)
-
(1R,2R)-1,2-Di(naphthalen-1-yl)ethane-1,2-diamine Dihydrochloride
- CAS RN: 1055301-17-1
- Product Code: SSC-007255
![CAS 185449-80-3 (S)-(+)-(3,5-Dioxa-4-phosphacyclohepta[2,1-a;3,4-a’]dinaphthalen-4-yl)dimethylamine molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/d4993-jpgcontextbwfzdgvyfhjvb3r8nda5mzv8aw1hz2uvanblz3xondavadjjlzg5mzaznte5mdy4ndyvrdq5otmuanbnfdg3mwexmjk3ngfmm2e2ywuwyje0yjg1odc2otljnjkxnju0zjy2ndu5nzm5zwnizdixnddiodaxzwe3mtexntu.jpeg)
![CAS 209482-27-9 (S,S,S)-(3,5-Dioxa-4-phosphacyclohepta[2,1-a:3,4-a’]dinaphthalen-4-yl)bis(1-phenylethyl)amine molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/d4995-jpgcontextbwfzdgvyfhjvb3r8ndc0nzd8aw1hz2uvanblz3xommevadfmlzg5mzazntiwmzc5mtgvrdq5otuuanbnfge4odi1ognhztm1ndc3ywe0ytk5m2zimjk2otnjyjc5zjnhmmi2nwm0mdblmgjlmta3zgqyyzc4zdrlmdk0mme.jpeg)
![CAS 1420042-07-4 2,4-Dibromo-6-[(E)-[[(1R,2R)-2-(isoindolin-2-yl)-1,2-diphenylethyl]imino]methyl]phenol molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/d5160-jpgcontextbwfzdgvyfhjvb3r8mzkymzn8aw1hz2uvanblz3xozgyvadi1lzg5mzaznjaznja5otavrduxnjauanbnfde3njyyngzlnjixowu3mdiwowi4mwq5nmu3zgfkndhmmde4yjg4zmy1oweymmm0m2uyywuwmmfhmjaymzq5zdi.jpeg)
