N-Benzyliminodiacetic acid - CAS 3987-53-9

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

Catalog:	BB024169
Product Name:	N-Benzyliminodiacetic acid
CAS:	3987-53-9
Synonyms:	2-[benzyl(carboxymethyl)amino]acetic acid

Technical Data

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Computed Properties

IUPAC Name:	2-[benzyl(carboxymethyl)amino]acetic acid
Description:	N-Benzyliminodiacetic acid (CAS# 3987-53-9) is a useful research chemical.
Molecular Weight:	223.23
Molecular Formula:	C11H13NO4
Canonical SMILES:	C1=CC=C(C=C1)CN(CC(=O)O)CC(=O)O
InChI:	InChI=1S/C11H13NO4/c13-10(14)7-12(8-11(15)16)6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,13,14)(H,15,16)
InChI Key:	SZQUPQVVCLFZLC-UHFFFAOYSA-N
Boiling Point:	420.9 °C at 760 mmHg
Density:	1.326 g/cm³
LogP:	0.65780

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[70199-62-1]C8H10ClNO
(4-Pyridyl)acetone Hydrochloride
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[832741-29-4]C9H11BrOS
1-(4-Bromo-5-propylthiophen-2-yl)ethanone

GHS Hazard Statement:	H302 (62.5%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

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Complexity:	232
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	223.08445790
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	223.08445790
Rotatable Bond Count:	6
Topological Polar Surface Area:	77.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-1.3