4-[(4-Methyl-1-piperazinyl)methyl]benzylamine - CAS 515162-20-6
Catalog: |
BB027469 |
Product Name: |
4-[(4-Methyl-1-piperazinyl)methyl]benzylamine |
CAS: |
515162-20-6 |
Synonyms: |
[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanamine |
IUPAC Name: | [4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanamine |
Description: | 4-[(4-Methyl-1-piperazinyl)methyl]benzylamine (CAS# 515162-20-6) is a useful research chemical. |
Molecular Weight: | 219.33 |
Molecular Formula: | C13H21N3 |
Canonical SMILES: | CN1CCN(CC1)CC2=CC=C(C=C2)CN |
InChI: | InChI=1S/C13H21N3/c1-15-6-8-16(9-7-15)11-13-4-2-12(10-14)3-5-13/h2-5H,6-11,14H2,1H3 |
InChI Key: | HILINUGDTTXRNZ-UHFFFAOYSA-N |
Boiling Point: | 336.5 °C at 760 mmHg |
Density: | 1.0154 g/cm3 |
Appearance: | Colorless to yellow liquid and/or solid |
MDL: | MFCD08060530 |
LogP: | 1.46880 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CA-3072698-A1 | Sulfonamide derivatives as stat3 inhibitors for the treatment of proliferative diseases | 20170811 |
EP-3665164-A1 | Sulfonamide derivatives as stat3 inhibitors for the treatment of proliferative diseases | 20170811 |
US-2020216432-A1 | Sulfonamide derivatives as stat3 inhibitors for the treatment of proliferative diseases | 20170811 |
WO-2019030538-A1 | SULFONAMIDE DERIVATIVES AS STAT3 INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISEASES | 20170811 |
JP-2020529451-A | Sulfonamide derivatives as STAT3 inhibitors for the treatment of proliferative disorders | 20170811 |
Complexity: | 191 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 219.173547683 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 219.173547683 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 32.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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