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6305-38-0 molecular structure
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3-aminooxolan-2-one hydrobromide

ChemBase ID: 89481
Molecular Formular: C4H8BrNO2
Molecular Mass: 182.01582
Monoisotopic Mass: 180.9738405
SMILES and InChIs

SMILES:
O1CCC(C1=O)N.Br
Canonical SMILES:
O=C1OCCC1N.Br
InChI:
InChI=1S/C4H7NO2.BrH/c5-3-1-2-7-4(3)6;/h3H,1-2,5H2;1H
InChIKey:
MKLNTBLOABOJFZ-UHFFFAOYSA-N

Cite this record

CBID:89481 http://www.chembase.cn/molecule-89481.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-aminooxolan-2-one hydrobromide
IUPAC Traditional name
@homoserine lactone hydrobromide
HSLs hydrobromide
Synonyms
(±)-α-Amino-γ-butyrolactone hydrobromide
DL-Homoserine lactone hydrobromide
α-Amino-γ-butyrolactone hydrobromide
(±)-α-Amino-γ-butyrolactone hydrobromide
DL-Homoserinelactone hydrobromide
DL-alpha-Amino-gamma-butyrolactone hydrobromide
3-aminodihydrofuran-2(3H)-one hydrobromide
2-Amino-4-butyrolactone
DL-HOMOSERINE LACTONE HYDROBROMIDE
3-aminooxolan-2-one hydrobromide
(±)-α-氨基-γ-丁内酯 氢溴酸盐
DL-高丝氨酸内酯 氢溴酸盐
α-氨基-γ-丁内酯 氢溴酸盐
(±)-α-氨基-γ-丁内酯 氢溴酸盐
CAS Number
6305-38-0
EC Number
228-614-6
MDL Number
MFCD00012723
Beilstein Number
4530084
PubChem SID
162076361
24890868
24846042
PubChem CID
73508

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.7108617  LogD (pH = 7.4) -1.1681297 
Log P -0.9011904  Molar Refractivity 23.4142 cm3
Polarizability 9.7096 Å3 Polar Surface Area 52.32 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
215 - 220°C expand Show data source
220-225 °C(lit.) expand Show data source
220-225°C expand Show data source
221°C (dec) expand Show data source
Hydrophobicity(logP)
-1.532 expand Show data source
Storage Condition
0°C, Desiccate expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
≥97.0% (AT) expand Show data source
95% expand Show data source
99% expand Show data source
Grade
purum expand Show data source
Salt Data
HBr expand Show data source
Certificate of Analysis
Download expand Show data source
Empirical Formula (Hill Notation)
C4H7NO2 · HBr expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
Sigma Aldrich - A44509 external link
Packaging
25 g in poly bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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