N-Chloroacetylglycine

C₄H₆ClNO₃CAS 6319-96-6151.55 g/mol

Open in Covalent MOL file

Alkyl halide Amide Carboxylic acid

Properties

Molecular formula: C₄H₆ClNO₃
Molar mass: 151.55 g/mol
Exact mass: 151.0036 Da
logP: -0.57Crippen estimate
Polar surface area: 66.4 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation80% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation80% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

6319-96-6

SMILES

C(C(=O)O)NC(=O)CCl

InChIKey

DLDTUYIGYMNERN-UHFFFAOYSA-N

InChI

InChI=1S/C4H6ClNO3/c5-1-3(7)6-2-4(8)9/h1-2H2,(H,6,7)(H,8,9)

Weigh it out

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

Work with N-Chloroacetylglycine

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

Tetraglycine637-84-355 % similar Chloroacetic acid79-11-852 % similar Hydantoic acid462-60-248 % similar Iminodiacetic acid142-73-446 % similar Glycocyamine352-97-645 % similar N-Hippurylglycine1145-32-045 % similar N-(tert-Butoxycarbonyl)glycylglycine31972-52-845 % similar Potassium azeloyl diglycinate477773-67-444 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethyl 2-chloro-2-(hydroxyimino)acetate14337-43-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook