(2-(2-Aminoethoxy)ethoxy)acetic acid

C₆H₁₃NO₄CAS 134978-97-5163.17 g/mol

Open in Covalent MOL file

Carboxylic acid Ether Primary amine

Properties

Molecular formula: C₆H₁₃NO₄
Molar mass: 163.17 g/mol
Exact mass: 163.0845 Da
logP: -0.94Crippen estimate
Polar surface area: 81.8 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 7

Hazards

Warning

H302 Harmful if swallowed33.3% of notifiers
H312 Harmful in contact with skin33.3% of notifiers
H315 Causes skin irritation66.7% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H332 Harmful if inhaled33.3% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

134978-97-5

SMILES

C(COCCOCC(=O)O)N

InChIKey

RUVRGYVESPRHSZ-UHFFFAOYSA-N

InChI

InChI=1S/C6H13NO4/c7-1-2-10-3-4-11-5-6(8)9/h1-5,7H2,(H,8,9)

Weigh it out

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

Names and synonyms

1 names

2-(2-(2-Aminoethoxy)ethoxy)acetic acid

Work with (2-(2-Aminoethoxy)ethoxy)acetic 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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

2-(2-(2-Aminoethoxy)ethoxy)acetic acid hydrochloride134979-01-4Salt

Similar compounds

Amino-peg4-ch2co2H195071-49-9100 % similar 3,6,9-Trioxaundecanedioic acid13887-98-475 % similar 17-Amino-10-oxo-3,6,12,15-tetraoxa-9-azaheptadecanoic acid1143516-05-573 % similar 27-Amino-4,7,10,13,16,19,22,25-octaoxaheptacosanoic acid756526-04-271 % similar Alpha-amine-omega-propionic acid triethylene glycol784105-33-571 % similar Amino-PEG6-acid905954-28-171 % similar 2,2′-[1,2-Ethanediylbis(oxy)]bis[acetic acid]23243-68-771 % similar Polyethylene glycol bis(carboxymethyl) ether39927-08-771 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Bicine150-25-4 Ammonium adipate19090-60-9 1-Deoxynojirimycin19130-96-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook