3S-3-Aminodihydrofuran-2(3H)-one hydrobromide

C₄H₈BrNO₂CAS 15295-77-9182.02 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: 139–141 °C
logP: -0.16Crippen estimate
Polar surface area: 52.3 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0
Stereocentres: Sin SMILES atom order

Hazards

Warning

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

Aggregated from the 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

15295-77-9

SMILES

Br.N[C@H]1CCOC1=O

InChIKey

MKLNTBLOABOJFZ-DFWYDOINSA-N

InChI

InChI=1S/C4H7NO2.BrH/c5-3-1-2-7-4(3)6;/h3H,1-2,5H2;1H/t3-;/m0./s1

Weigh it out

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

Names and synonyms

9 names

2(3H)-Furanone, 3-aminodihydro-, hydrobromide (1:1), (3S)-
2(3H)-Furanone, 3-aminodihydro-, hydrobromide, L-
2(3H)-Furanone, 3-aminodihydro-, hydrobromide, (S)-
2(3H)-Furanone, 3-aminodihydro-, hydrobromide, (3S)-
L-Homoserine lactone hydrobromide
(S)-2-Amino-4-butyrolactone hydrobromide
(S)-(-)-α-Aminobutyrolactone hydrobromide
(S)-3-Aminodihydrofuran-2(3H)-one hydrobromide
(S)-(-)-α-Amino-γ-butyrolactone hydrobromide

Work with 3S-3-Aminodihydrofuran-2(3H)-one 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.

Homoserine lactone hydrobromide6305-38-0Stereo not defined (3S)-3-Aminodihydro-2(3H)-furanone hydrochloride2185-03-7Salt (R)-(+)-Alpha-amino-gamma-butyrolactone hydrochloride104347-13-9Salt, enantiomer

Similar compounds

2-Bromo-4-butyrolactone5061-21-243 % similar (S)-(-)-Alpha-hydroxy-gamma-butyrolactone52079-23-943 % similar (R)-(+)-Alpha-hydroxy-gamma-butyrolactone56881-90-443 % similar (S)-Ethyl 2,5-diaminopentanoate dihydrochloride84772-29-241 % similar 2-Acetylbutyrolactone517-23-739 % similar (S)-Ethyl 2-amino-4-phenylbutanoate hydrochloride90891-21-737 % similar (S)-(+)-2-Amino-4-bromobutyric Acid Hydrobromide15159-65-636 % similar 1,5-Dimethyl 2-aminopentanedioate hydrochloride13515-99-636 % similar

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

Elsewhere

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