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CAS 23230-39-9 1-[(DIMETHYLAMINO)METHYL]IMIDAZOLE molecular structure lightbox
CAS RN: 23230-39-9

1-[(DIMETHYLAMINO)METHYL]IMIDAZOLE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260103 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-112865
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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 23230-39-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

23230-39-9 / 1-imidazol-1-yl-N,N-dimethylmethanamine

Standard CAS: 23230-39-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
23230-39-9
Multi CAS
No
Molecular Formula
C6H11N3
Molecular Weight
125.170000
Exact Mass
125.095297
SMILES
CN(C)CN1C=CN=C1
InChI
InChI=1S/C6H11N3/c1-8(2)6-9-4-3-7-5-9/h3-5H,6H2,1-2H3
InChIKey
VANQIHUBDZAOOM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
35.91
TPSA
21.06

LogP / Solubility

WLOGP
0.4
MLOGP
0.34
XLogP3
0.1
Consensus LogP
0.28
Log S (ESOL)
-1.15
Class (ESOL)
Soluble
Log S (Ali)
-0.88
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.05
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)
-3.2

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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