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CAS 26052-09-5 METHYL-(1-METHYL-1H-PYRROL-2-YLMETHYL)-AMINE molecular structure lightbox
CAS RN: 26052-09-5

METHYL-(1-METHYL-1H-PYRROL-2-YLMETHYL)-AMINE

  • Product code: SSC-122892
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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 26052-09-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

26052-09-5 / N-methyl-1-(1-methylpyrrol-2-yl)methanamine

Standard CAS: 26052-09-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
26052-09-5
Multi CAS
No
Molecular Formula
C7H12N2
Molecular Weight
124.180000
Exact Mass
124.100048
SMILES
CNCC1=CC=CN1C
InChI
InChI=1S/C7H12N2/c1-8-6-7-4-3-5-9(7)2/h3-5,8H,6H2,1-2H3
InChIKey
YEMKVBRHRNHHGE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.43
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
38.18
TPSA
16.96

LogP / Solubility

WLOGP
0.74
MLOGP
0.65
XLogP3
0.1
Consensus LogP
0.5
Log S (ESOL)
-1.36
Class (ESOL)
Soluble
Log S (Ali)
-1.12
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.33
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)
-2.95

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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