Homoserine lactone hydrobromide

C₄H₈BrNO₂CAS 6305-38-0182.02 g/mol

Open in Covalent MOL file

Ester Lactone Primary amine

Properties

Molecular formula: C₄H₈BrNO₂
Molar mass: 182.02 g/mol
Exact mass: 180.9738 Da
Melting point: 221 °C (decomposes)
logP: -0.16Crippen estimate
Polar surface area: 52.3 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.7% of notifiers

Aggregated from 43 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

6305-38-0

SMILES

Br.NC1CCOC1=O

InChIKey

MKLNTBLOABOJFZ-UHFFFAOYSA-N

InChI

InChI=1S/C4H7NO2.BrH/c5-3-1-2-7-4(3)6;/h3H,1-2,5H2;1H

Weigh it out

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

Names and synonyms

11 names

2(3H)-Furanone, 3-aminodihydro-, hydrobromide (1:1)
2(3H)-Furanone, 3-aminodihydro-, hydrobromide
2(3H)-Furanone, 3-aminodihydro-, hydrobromide, (±)-
α-Amino-γ-butyrolactone hydrobromide
2-Aminobutyrolactone hydrobromide
2-Amino-4-butyrolactone hydrobromide
DL-Homoserine lactone hydrobromide
(±)-3-Aminodihydro-2(3H)-furanone hydrobromide
3-Aminodihydro-2(3H)-furanone hydrobromide
NSC 41120
3-Aminooxolan-2-one hydrobromide

Work with Homoserine lactone hydrobromide

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.

3S-3-Aminodihydrofuran-2(3H)-one hydrobromide15295-77-9Defined stereoisomer (3S)-3-Aminodihydro-2(3H)-furanone hydrochloride2185-03-7Salt, defined stereoisomer (R)-(+)-Alpha-amino-gamma-butyrolactone hydrochloride104347-13-9Salt, defined stereoisomer

Similar compounds

L-Methionine O-ethyl ester hydrochloride2899-36-745 % similar H-D-Met-oet hcl7512-43-845 % similar L-Norvaline, ethyl ester, hydrochloride (1:1)40918-51-244 % similar α-Hydroxy-γ-butyrolactone19444-84-943 % similar 2-Bromo-4-butyrolactone5061-21-243 % similar (S)-(-)-Alpha-hydroxy-gamma-butyrolactone52079-23-943 % similar (R)-(+)-Alpha-hydroxy-gamma-butyrolactone56881-90-443 % similar Diethyl L-glutamate hydrochloride1118-89-441 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook