4-(Dimethylamino)benzaldehyde - CAS 100-10-7

Catalog:	BB000084
Product Name:	4-(Dimethylamino)benzaldehyde
CAS:	100-10-7
Synonyms:	4-(dimethylamino)benzaldehyde

Technical Data

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Computed Properties

IUPAC Name:	4-(dimethylamino)benzaldehyde
Description:	4-(Dimethylamino)benzaldehyde (CAS# 100-10-7) is a useful research chemical.
Molecular Weight:	149.19
Molecular Formula:	C9H11NO
Canonical SMILES:	CN(C)C1=CC=C(C=C1)C=O
InChI:	InChI=1S/C9H11NO/c1-10(2)9-5-3-8(7-11)4-6-9/h3-7H,1-2H3
InChI Key:	BGNGWHSBYQYVRX-UHFFFAOYSA-N
Boiling Point:	176-177 °C (17 mmHg)
Melting Point:	70-75 °C
Purity:	95 %
Density:	1.072 g/cm³
Appearance:	White crystalline powder
Storage:	2-8 °C
MDL:	MFCD00003381
LogP:	1.56510

Publication Number	Title	Priority Date
CN-113425665-A	Whitening composition capable of reducing toxicity and enhancing efficacy and preparation method and application thereof	20210812
CN-113461721-A	BODIPY near-infrared fluorescent dye with large Stokes shift and preparation method thereof	20210806
CN-113295805-A	Method for detecting hydrazine hydrate in medicine	20210728
CN-113425622-A	A cosmetic raw material composition with skin whitening and antiallergic effects, and cosmetic containing the same	20210727
CN-113462606-A	Strain for preventing infant from diarrhea caused by supplementary food and application thereof	20210727

PMID	Publication Date	Title	Journal
23015107	20121114	Inversion of selectivity in anion recognition with conformationally blocked calix[4]pyrroles	Organic & biomolecular chemistry
22836611	20121001	Synthesis and pharmacological investigation of 2-(4-dimethylaminophenyl)-3,5-disubstituted thiazolidin-4-ones as anticonvulsants	Archiv der Pharmazie
22873831	20121001	Rapid and simple colorimetric assay for screening angiotensin I-converting enzyme inhibitors	Pharmaceutical biology
22696418	20120901	Evaluation of inhibition selectivity for human cytochrome P450 2A enzymes	Drug metabolism and disposition: the biological fate of chemicals
22653947	20120801	IncP-1β plasmids of Comamonas sp. and Delftia sp. strains isolated from a wastewater treatment plant mediate resistance to and decolorization of the triphenylmethane dye crystal violet	Microbiology (Reading, England)

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GHS Hazard Statement:	H302 (13.46%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P272, P273, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P333+P313, P337+P313, P363, P391, and P501
Signal Word:	Warning

Complexity:	126
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	149.084063974
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	149.084063974
Rotatable Bond Count:	2
Topological Polar Surface Area:	20.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8