1-Aminocyclobutanecarboxylic acid hydrochloride

C₅H₁₀ClNO₂CAS 98071-16-0151.59 g/mol

Open in Covalent MOL file

Carboxylic acid Primary amine

Properties

Molecular formula: C₅H₁₀ClNO₂
Molar mass: 151.59 g/mol
Exact mass: 151.0400 Da
Melting point: 260–265 °C
logP: 0.37Crippen estimate
Polar surface area: 63.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation33.3% of notifiers

Aggregated from 3 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

98071-16-0

SMILES

Cl.NC1(C(=O)O)CCC1

InChIKey

HBTVGNDTGRUBQO-UHFFFAOYSA-N

InChI

InChI=1S/C5H9NO2.ClH/c6-5(4(7)8)2-1-3-5;/h1-3,6H2,(H,7,8);1H

Weigh it out

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

Names and synonyms

2 names

Cyclobutanecarboxylic acid, 1-amino-, hydrochloride (1:1)
Cyclobutanecarboxylic acid, 1-amino-, hydrochloride

Work with 1-Aminocyclobutanecarboxylic 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-Amino-cyclobutanecarboxylic acid22264-16-0Free base 1-Aminocyclobutanecarboxylic acid22264-50-2Free base

Similar compounds

1-Amino-1-cyclopropanecarboxylic acid hydrochloride68781-13-587 % similar Cycloleucine52-52-879 % similar 1-Aminocyclopropane-1-carboxylic acid22059-21-878 % similar 1-Aminocyclohexanecarboxylic acid2756-85-676 % similar 4-Aminotetrahydro-2H-pyran-4-carboxylic acid39124-20-459 % similar 1-Amino-4-oxocyclohexanecarboxylic acid ethylene ketal54621-18-058 % similar 3-Aminooxetane-3-carboxylic acid138650-24-552 % similar 3-Aminotetrahydrofuran-3-carboxylic acid125218-55-550 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methyl azetidine-3-carboxylate hydrochloride100202-39-9 D-2-Allylglycine hydrochloride108412-04-0 L-2-Allylglycine hydrochloride195316-72-4 Methyl 1-aminocyclopropane-1-carboxylate hydrochloride72784-42-0

Elsewhere

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