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CAS 772311-98-5 4-(2-METHYLIMIDAZOL-1-YLMETHYL)PHENYLAMINE molecular structure lightbox
CAS RN: 772311-98-5

4-(2-METHYLIMIDAZOL-1-YLMETHYL)PHENYLAMINE

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250326 1g In stock Inquiry
Batchno.20250321 250mg In stock Inquiry
Batchno.20260330 5g In stock Inquiry
  • Product code: SSC-186721
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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: ≥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 772311-98-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

772311-98-5 / 4-[(2-methylimidazol-1-yl)methyl]aniline

Standard CAS: 772311-98-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
772311-98-5
Multi CAS
No
Molecular Formula
C11H13N3
Molecular Weight
187.240000
Exact Mass
187.110947
InChI
InChI=1S/C11H13N3/c1-9-13-6-7-14(9)8-10-2-4-11(12)5-3-10/h2-7H,8,12H2,1H3
InChIKey
KWSBIEFIWQOXTF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
11
Fraction Csp3
0.18
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
56.92
TPSA
43.84

LogP / Solubility

WLOGP
1.82
MLOGP
1.6
XLogP3
1.3
Consensus LogP
1.57
Log S (ESOL)
-2.6
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.41
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.63
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.57

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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