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CAS 198281-55-9 3-(4-METHYL-PIPERAZIN-1-YLMETHYL)-ANILINE molecular structure lightbox
CAS RN: 198281-55-9

3-(4-METHYL-PIPERAZIN-1-YLMETHYL)-ANILINE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250627 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-093434
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 0.25g, 0.1g, 5g, 10g, 25g
  • Available purity: ≥95%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 198281-55-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 3 In Stock Beijing Inquiry
0.25g ≥95% 2 In Stock Shanghai Inquiry
0.1g ≥95% 1 In Stock Beijing Inquiry
5g ≥95% 1 In Stock Shanghai Inquiry
10g ≥95% 1 In Stock Beijing Inquiry
25g ≥95% 0 Out of Stock Beijing Inquiry

198281-55-9 / 3-[(4-methylpiperazin-1-yl)methyl]aniline

Standard CAS: 198281-55-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
198281-55-9
Multi CAS
No
Molecular Formula
C12H19N3
Molecular Weight
205.300000
Exact Mass
205.157898
SMILES
CN1CCN(CC1)CC2=CC(=CC=C2)N
InChI
InChI=1S/C12H19N3/c1-14-5-7-15(8-6-14)10-11-3-2-4-12(13)9-11/h2-4,9H,5-8,10,13H2,1H3
InChIKey
ZGPHZHCPWKOKDX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
63.63
TPSA
32.5

LogP / Solubility

WLOGP
1.02
MLOGP
0.89
XLogP3
0.5
Consensus LogP
0.8
Log S (ESOL)
-1.92
Class (ESOL)
Soluble
Log S (Ali)
-1.98
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.08
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)
-3.25

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

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501

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