4-[(Diethylamino)methyl]benzoic Acid - CAS 62642-59-5

Catalog:	BB031710
Product Name:	4-[(Diethylamino)methyl]benzoic Acid
CAS:	62642-59-5
Synonyms:	4-(diethylaminomethyl)benzoic acid; 4-(diethylaminomethyl)benzoic acid

Technical Data

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Computed Properties

IUPAC Name:	4-(diethylaminomethyl)benzoic acid
Description:	4-[(Diethylamino)methyl]benzoic Acid (CAS# 62642-59-5) is a useful research chemical.
Molecular Weight:	207.27
Molecular Formula:	C12H17NO2
Canonical SMILES:	CCN(CC)CC1=CC=C(C=C1)C(=O)O
InChI:	InChI=1S/C12H17NO2/c1-3-13(4-2)9-10-5-7-11(8-6-10)12(14)15/h5-8H,3-4,9H2,1-2H3,(H,14,15)
InChI Key:	LXMSVTJNSQLXGX-UHFFFAOYSA-N
Boiling Point:	315.4 °C at 760 mmHg
Density:	1.082 g/cm³
MDL:	MFCD03142450
LogP:	2.22660

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Complexity:	194
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	207.125928785
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	207.125928785
Rotatable Bond Count:	5
Topological Polar Surface Area:	40.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.1