1-(3-Methylbenzyl)piperazine - CAS 5321-48-2
Catalog: |
BB028085 |
Product Name: |
1-(3-Methylbenzyl)piperazine |
CAS: |
5321-48-2 |
Synonyms: |
1-[(3-methylphenyl)methyl]piperazine |
IUPAC Name: | 1-[(3-methylphenyl)methyl]piperazine |
Description: | Piperazine derivative used as reference materials for forensic laboratories. They affect the central and the autonomic nervous systems, the blood pressure, and smooth muscle. |
Molecular Weight: | 190.28 |
Molecular Formula: | C12H18N2 |
Canonical SMILES: | CC1=CC(=CC=C1)CN2CCNCC2 |
InChI: | InChI=1S/C12H18N2/c1-11-3-2-4-12(9-11)10-14-7-5-13-6-8-14/h2-4,9,13H,5-8,10H2,1H3 |
InChI Key: | VTEOTZPEMDQENX-UHFFFAOYSA-N |
Boiling Point: | 291.1 °C at 760 mmHg |
Purity: | > 98 % |
Density: | 1.001 g/cm3 |
Appearance: | Pale yellow oil |
MDL: | MFCD01321003 |
LogP: | 1.66690 |
GHS Hazard Statement: | H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113214275-A | Pyranocarbazole alkaloid derivatives and their use for treating nervous system diseases | 20200204 |
WO-2020248075-A1 | Targeting dna repair in tumor cells via inhibition of ercc1-xpf | 20190612 |
WO-2020248075-A9 | Targeting dna repair in tumor cells via inhibition of ercc1-xpf | 20190612 |
TW-202031823-A | Dual additive composition for polishing memory hard disks exhibiting edge roll off | 20190111 |
US-2020224057-A1 | Dual additive composition for polishing memory hard disks exhibiting edge roll off | 20190111 |
Complexity: | 164 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 190.146998583 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 190.146998583 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 15.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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