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CAS 5441-60-1 N-Methyl-2-nitronenzenemethanamine monohydrochloride molecular structure lightbox
CAS RN: 5441-60-1

N-Methyl-2-nitronenzenemethanamine monohydrochloride

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260519 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-162090
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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: 0.25g, 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 5441-60-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

5441-60-1 / N-methyl-1-(2-nitrophenyl)methanamine;hydrochloride

Standard CAS: 5441-60-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5441-60-1
Multi CAS
Yes
Molecular Formula
C8H11CLN2O2
Molecular Weight
202.640000
Exact Mass
202.050905
InChI
InChI=1S/C8H10N2O2.ClH/c1-9-6-7-4-2-3-5-8(7)10(11)12;/h2-5,9H,6H2,1H3;1H
InChIKey
NCDRLRZMVFXZPA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
53.11
TPSA
55.17

LogP / Solubility

WLOGP
1.74
MLOGP
1.53
XLogP3
1.74
Consensus LogP
1.67
Log S (ESOL)
-2.33
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.48
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.78
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)
-2.72

Drug-likeness / Medicinal Chemistry

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

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