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CAS 91271-78-2 [3-(1-PYRROLIDINYLMETHYL)PHENYL]METHANAMINE molecular structure lightbox
CAS RN: 91271-78-2

[3-(1-PYRROLIDINYLMETHYL)PHENYL]METHANAMINE

Product Availability

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5 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250827 100mg Out of stock Inquiry
Batchno.20260503 100mg / 250mg / 1g / 5g / 10g Out of stock 5-7 business days Inquiry
Batchno.20251211 1g Out of stock Inquiry
Batchno.20260302 250mg Out of stock Inquiry
Batchno.20251007 5g Out of stock Inquiry
  • Product code: SSC-204192
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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: ＞97%
  • 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 91271-78-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

91271-78-2 / [3-(pyrrolidin-1-ylmethyl)phenyl]methanamine

Standard CAS: 91271-78-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
91271-78-2
Multi CAS
No
Molecular Formula
C12H18N2
Molecular Weight
190.280000
Exact Mass
190.146999
InChI
InChI=1S/C12H18N2/c13-9-11-4-3-5-12(8-11)10-14-6-1-2-7-14/h3-5,8H,1-2,6-7,9-10,13H2
InChIKey
RTUWXPVILJUANC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
58.84
TPSA
29.26

LogP / Solubility

WLOGP
1.74
MLOGP
1.53
XLogP3
1.1
Consensus LogP
1.46
Log S (ESOL)
-2.24
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.38
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.7
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)
-2.64

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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