1-Amino-1-cyclopropanecarboxylic acid hydrochloride

C4H8ClNO2CAS 68781-13-5137.56 g/mol

Open in Covalent MOL file
HClH2NOHO
Carboxylic acidPrimary amine

Properties

Molecular formula
C4H8ClNO2
Molar mass
137.56 g/mol
Exact mass
137.0244 Da
Melting point
222 °C (decomposes)
logP
-0.02Crippen estimate
Polar surface area
63.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
68781-13-5
SMILES
Cl.NC1(C(=O)O)CC1
InChIKey
WTZRHZRMLYNBRM-UHFFFAOYSA-N
InChI
InChI=1S/C4H7NO2.ClH/c5-4(1-2-4)3(6)7;/h1-2,5H2,(H,6,7);1H

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Names and synonyms

4 names
  • Cyclopropanecarboxylic acid, 1-amino-, hydrochloride (1:1)
  • Cyclopropanecarboxylic acid, 1-amino-, hydrochloride
  • 1-Aminocyclopropanecarboxylic acid hydrochloride
  • 1-Carboxycyclopropanaminium chloride

Work with 1-Amino-1-cyclopropanecarboxylic acid hydrochloride

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.

1-Aminocyclopropane-1-carboxylic acid22059-21-8Free base

Similar compounds

1-Aminocyclobutanecarboxylic acid hydrochloride98071-16-087 % similar 1-Amino-cyclobutanecarboxylic acid22264-16-074 % similar 1-Aminocyclobutanecarboxylic acid22264-50-274 % similar Cycloleucine52-52-874 % similar 1-Aminocyclohexanecarboxylic acid2756-85-671 % similar 4-Aminotetrahydro-2H-pyran-4-carboxylic acid39124-20-465 % similar 1-Amino-4-oxocyclohexanecarboxylic acid ethylene ketal54621-18-064 % similar 3-Aminooxetane-3-carboxylic acid138650-24-558 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(R)-(+)-Alpha-amino-gamma-butyrolactone hydrochloride104347-13-9 (3S)-3-Aminodihydro-2(3H)-furanone hydrochloride2185-03-7 2-Chloro-N-methoxy-N-methylacetamide67442-07-3

Elsewhere

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