CAS RN: 69807-81-4
(1-Methyl-1H-pyrrol-2-yl)methanamine
Product Availability
Choose a grade to view its available package options.
7 package records6 with current stock2 grade groups
- Product code: SSC-179579
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
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
69807-81-4 / (1-methylpyrrol-2-yl)methanamine
Basic Information
CAS
69807-81-4
Multi CAS
Yes
Molecular Formula
C6H10N2
Molecular Weight
110.160000
Exact Mass
110.084398
InChI
InChI=1S/C6H10N2/c1-8-4-2-3-6(8)5-7/h2-4H,5,7H2,1H3
InChIKey
GGCBARJYVAPZJQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Aromatic heavy atom count
5
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
33.3
TPSA
30.95
LogP / Solubility
WLOGP
0.48
MLOGP
0.41
XLogP3
-0.4
Consensus LogP
0.16
Log S (ESOL)
-1.22
Class (ESOL)
Soluble
Log S (Ali)
-0.81
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.9
Class (SILICOS-IT)
Very 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)
-3.05
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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