2-Chloro-4-(4-methylpiperazino)benzaldehyde - CAS 51420-30-5
Catalog: |
BB070203 |
Product Name: |
2-Chloro-4-(4-methylpiperazino)benzaldehyde |
CAS: |
51420-30-5 |
Synonyms: |
2-Chloro-4-(4-methylpiperazino)benzaldehyde; 2-chloro-4-(4-methylpiperazin-1-yl)benzaldehyde |
IUPAC Name: | 2-chloro-4-(4-methylpiperazin-1-yl)benzaldehyde |
Description: | 2-Chloro-4-(4-methylpiperazino)benzaldehyde |
Molecular Weight: | 238.71 |
Molecular Formula: | C12H15ClN2O |
Canonical SMILES: | CN1CCN(CC1)C2=CC(=C(C=C2)C=O)Cl |
InChI: | InChI=1S/C12H15ClN2O/c1-14-4-6-15(7-5-14)11-3-2-10(9-16)12(13)8-11/h2-3,8-9H,4-7H2,1H3 |
InChI Key: | JHKAOEWIJKITLH-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 241 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 238.0872908 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 238.0872908 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 23.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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