N-Benzylanthranilic acid - CAS 6622-55-5

Name: N-Benzylanthranilic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB032939
Product Name:	N-Benzylanthranilic acid
CAS:	6622-55-5
Synonyms:	2-(benzylamino)benzoic acid

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Computed Properties

IUPAC Name:	2-(benzylamino)benzoic acid
Description:	2-(Benzylamino)benzoic acid (CAS# 6622-55-5) is one of the N-aralkylanthranilic acid derivatives used as CNS depressants.
Molecular Weight:	227.26
Molecular Formula:	C14H13NO2
Canonical SMILES:	C1=CC=C(C=C1)CNC2=CC=CC=C2C(=O)O
InChI:	InChI=1S/C14H13NO2/c16-14(17)12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11/h1-9,15H,10H2,(H,16,17)
InChI Key:	JGQKORRBYIBYOF-UHFFFAOYSA-N
Boiling Point:	409.5 °C at 760 mmHg
Purity:	98.0%
Density:	1.247 g/cm³
Appearance:	Solid
MDL:	MFCD00020247
LogP:	3.06990

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[5650-34-0]C9H8O2
Oxiran-2-yl(phenyl)methanone
[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[1383427-98-2]C7H13ClN2O2
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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-112812077-A	Benzamide compound and preparation method, pharmaceutical composition and application thereof	20191118
CN-110240565-A	A kind of preparation method of 9,9-dimethylacridan	20190705
CN-110240565-B	Preparation method of 9, 9-dimethylacridine	20190705
WO-2020257940-A1	Furosemide analogues and compositions and uses thereof for treatment of alzheimer's disease	20190626
TW-201925413-A	Chemical mechanical polishing composition	20171122

Complexity:	249
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	227.094628657
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	227.094628657
Rotatable Bond Count:	4
Topological Polar Surface Area:	49.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.6