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CAS 845290-87-1 1-IMIDAZOL-1-YLMETHYL-2,2-DIMETHYL-PROPYLAMINE molecular structure lightbox
CAS RN: 845290-87-1

1-IMIDAZOL-1-YLMETHYL-2,2-DIMETHYL-PROPYLAMINE

  • Product code: SSC-192029
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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: 5g
  • 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 845290-87-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

845290-87-1 / 1-imidazol-1-yl-3,3-dimethylbutan-2-amine

Standard CAS: 845290-87-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
845290-87-1
Multi CAS
No
Molecular Formula
C9H17N3
Molecular Weight
167.250000
Exact Mass
167.142248
InChI
InChI=1S/C9H17N3/c1-9(2,3)8(10)6-12-5-4-11-7-12/h4-5,7-8H,6,10H2,1-3H3
InChIKey
LBMYOBPKNFXLIA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.67
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
49.66
TPSA
43.84

LogP / Solubility

WLOGP
1.26
MLOGP
1.1
XLogP3
0.8
Consensus LogP
1.05
Log S (ESOL)
-1.84
Class (ESOL)
Soluble
Log S (Ali)
-1.84
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.03
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
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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