N-Phenyliminodiacetic acid

C₁₀H₁₁NO₄CAS 1137-73-1209.20 g/mol

Open in Covalent MOL file

Carboxylic acid Tertiary amine

Properties

Molecular formula: C₁₀H₁₁NO₄
Molar mass: 209.20 g/mol
Exact mass: 209.0688 Da
Melting point: 150 °C
logP: 0.66Crippen estimate
Polar surface area: 77.8 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 5

Hazards

Danger

H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage14.3% of notifiers
H319 Causes serious eye irritation85.7% of notifiers
H335 May cause respiratory irritation100% of notifiers
H412 Harmful to aquatic life with long lasting effects28.6% of notifiers

Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

1137-73-1

SMILES

O=C(O)CN(CC(=O)O)c1ccccc1

InChIKey

GQBWTAGIANQVGB-UHFFFAOYSA-N

InChI

InChI=1S/C10H11NO4/c12-9(13)6-11(7-10(14)15)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,13)(H,14,15)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

11 names

Glycine, N-(carboxymethyl)-N-phenyl-
Acetic acid, (phenylimino)di-
N-(Carboxymethyl)-N-phenylglycine
N-(Carboxymethyl)anilinoacetic acid
(Phenylimino)diacetic acid
Anilinediacetic acid
Anilinodiacetic acid
NSC 105534
2,2′-(Phenylazanediyl)diacetic acid
2-[N-(Carboxymethyl)anilino]acetic acid
2-[(Carboxymethyl)(phenyl)amino]acetic acid

Work with N-Phenyliminodiacetic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

N-Benzylaminodiacetic acid3987-53-956 % similar BAPTA85233-19-853 % similar N-Phthaloylglycine4702-13-052 % similar Phenylacetic acid103-82-250 % similar Phenylpropanoic acid501-52-048 % similar (Phenylthio)acetic acid103-04-847 % similar 4-Phenylbutyric acid1821-12-147 % similar 1,2-Benzenediacetic acid7500-53-047 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,3-Dimethyl 5-methyl-2,3-pyridinedicarboxylate112110-16-4 Benzyloxycarbonylglycine1138-80-3 Alpha-Methyl-4-carboxyphenylglycine146669-29-6 2-(4-Formyl-2-methoxyphenoxy)acetamide186685-89-2 2,4-Dimethoxy-omega-nitrostyrene1891-10-7 Dimethyl 3-aminobenzene-1,2-dicarboxylate34529-06-1 2,5-Dimethoxy-beta-nitrostyrene40276-11-7 Methyl 4-acetamido-2-hydroxybenzoate4093-28-1

Elsewhere

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