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CAS 91429-70-8 5-Methyl-2-(1-pyrrolidinyl)aniline molecular structure lightbox
CAS RN: 91429-70-8

5-Methyl-2-(1-pyrrolidinyl)aniline

  • Product code: SSC-204506
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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 91429-70-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

91429-70-8 / 5-methyl-2-pyrrolidin-1-ylaniline

Standard CAS: 91429-70-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
91429-70-8
Multi CAS
No
Molecular Formula
C11H16N2
Molecular Weight
176.260000
Exact Mass
176.131349
InChI
InChI=1S/C11H16N2/c1-9-4-5-11(10(12)8-9)13-6-2-3-7-13/h4-5,8H,2-3,6-7,12H2,1H3
InChIKey
AWUZKEGYCANZSN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
57.04
TPSA
29.26

LogP / Solubility

WLOGP
2.18
MLOGP
1.91
XLogP3
2.2
Consensus LogP
2.1
Log S (ESOL)
-2.58
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.58
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.73
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)
-2.25

Drug-likeness / Medicinal Chemistry

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

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