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CAS 203792-37-4 1H-Pyrrole-2-carbonitrile,5-(aminomethyl)-1-methyl-(9CI) molecular structure lightbox
CAS RN: 203792-37-4

1H-Pyrrole-2-carbonitrile,5-(aminomethyl)-1-methyl-(9CI)

  • Product code: SSC-095922
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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 203792-37-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

203792-37-4 / 5-(aminomethyl)-1-methylpyrrole-2-carbonitrile

Standard CAS: 203792-37-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
203792-37-4
Multi CAS
No
Molecular Formula
C7H9N3
Molecular Weight
135.170000
Exact Mass
135.079647
SMILES
CN1C(=CC=C1C#N)CN
InChI
InChI=1S/C7H9N3/c1-10-6(4-8)2-3-7(10)5-9/h2-3H,4,8H2,1H3
InChIKey
WUKFHFANYNSORE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
38.02
TPSA
54.74

LogP / Solubility

WLOGP
0.36
MLOGP
0.31
XLogP3
-0.4
Consensus LogP
0.09
Log S (ESOL)
-1.21
Class (ESOL)
Soluble
Log S (Ali)
-0.93
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.95
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)
-3.29

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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