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

Technical Data

Safety and Hazards

Computed Properties

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

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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:	23.6Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9