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CAS 1067631-36-0 (1S,2S)-N,N,N’-triMethyl-1,2-diaMinocyclohexane molecular structure lightbox
CAS RN: 1067631-36-0

(1S,2S)-N,N,N’-triMethyl-1,2-diaMinocyclohexane

Product Availability

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5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250128 100mg / 250mg / 1g Confirm by inquiry Shanghai 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250902 100mg In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20250612 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250403 250mg In stock Shanghai, Tianjin, Wuhan Inquiry
Batchno.20250609 5g In stock Shenzhen, Tianjin, Chengdu Inquiry
  • Product code: SSC-008285
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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: ＞97%
  • 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 1067631-36-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

1067631-36-0 / trans-(1S,2S)-1-N,2-N,2-N-trimethylcyclohexane-1,2-diamine

N,N,N'-Trimethyl-cyclohexane-1,2-diamine | n1,n1,n2-trimethylcyclohexane-1,2-diamine | 1,2-Cyclohexanediamine, N,N,N'-trimethyl-, trans-

Standard CAS: 1067631-36-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1067631-36-0
Multi CAS
Yes
Molecular Formula
C9H20N2
Molecular Weight
156.270000
Exact Mass
156.162649
SMILES
CN[C@H]1CCCC[C@@H]1N(C)C
InChI
InChI=1S/C9H20N2/c1-10-8-6-4-5-7-9(8)11(2)3/h8-10H,4-7H2,1-3H3/t8-,9-/m0/s1
InChIKey
MGFSHCOCJMZNSV-IUCAKERBSA-N
Synonyms
N,N,N'-Trimethyl-cyclohexane-1,2-diamine n1,n1,n2-trimethylcyclohexane-1,2-diamine 1,2-Cyclohexanediamine, N,N,N'-trimethyl-, trans- 1-N,2-N,2-N-trimethylcyclohexane-1,2-diamine N,N,N'-trimethyl-1,2-cyclohexanediamine

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
48.79
TPSA
15.27

LogP / Solubility

WLOGP
1.08
MLOGP
0.94
XLogP3
1.2
Consensus LogP
1.07
Log S (ESOL)
-1.36
Class (ESOL)
Soluble
Log S (Ali)
-1.62
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.81
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)
-2.91

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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