Basic information
- CAS
1192-20-7- Standard SMILES
NC1CCOC1=O- InChIKey
QJPWUUJVYOJNMH-UHFFFAOYSA-N- Molecular formula
- C4H7NO2
- Average molar mass
- 101.1 g/mol
- Monoisotopic mass
- 101.04767846
Overview
Homoserine lactone is a butan-4-olide having an amino substituent at the 2-position. It has a role as an Escherichia coli metabolite. It is a butan-4-olide and a primary amino compound. It is a conjugate base of a homoserinium lactone.
Names & identifiers
- Preferred name
- Homoserine Lactone
- IUPAC
- 3-aminooxolan-2-one
- English name
- 2(3H)-Furanone,3-aminodihydro-(8CI,9CI)
- Molecular formula
- C4H7NO2
- Molecular weight
- 101.1
Names & synonyms
homoserine lactone1192-20-72-Aminobutan-4-olide2(3H)-furanone, 3-aminodihydro-Alpha-amino-gamma-butyrolactoneCHEBI:17289DTXSID10427587RefChem:788468DTXCID303784213-aminooxolan-2-one hydrobromide3-aminodihydrofuran-2(3H)-one3-aminooxolan-2-one
Show more names
SKL1462(3H)-Furanone,3-aminodihydro-(8CI,9CI)Dihydro-3-amino-2-(3H)-furanone 3-Aminooxolan-2-one
3-aminotetrahydrofuran-2-one171736-85-93-Aminodihydro-2(3H)-furanoneMFCD00044567(S)-(-)-alpha-amino-gamma-butyrolactone hydroiodideHSL3-amino-3,4,5-trihydrofuran-2-oneHSLs
Database identifiers
- CAS
1192-20-7- PubChem CID
- 73509
- DTXSID
DTXSID00862589- ChEMBL
CHEMBL1233424- ChEBI
CHEBI:17289- EC Number
- 802-560-9
- Nikkaji
- J38.532H
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 91.7
Physicochemical properties
- Melting point
- 194 °C · 194 °C
- Boiling point
- 257.1 · 257.1±33.0 °C(Predicted)
- Density
- 1.206 · 1.206±0.06 g/cm3(Predicted)
- pka
- 7.89 · 7.89±0.20(Predicted)
- form
- solid
- InChI
- 1S/C4H7NO2/c5-3-1-2-7-4(3)6/h3H,1-2,5H2
- InChIKey
- QJPWUUJVYOJNMH-UHFFFAOYSA-N
- SMILES
- NC1CCOC1=O
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
- WGK Germany
- 3 · 3
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 Oral · Acute Tox. 4 Oral
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 3
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Upstream & downstream products
Downstream products
Suppliers20 total
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
广州佳途科技股份有限公司81960175 18933936954 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
湖北扬信医药科技有限公司15347293736 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
嘉兴市德亿化工有限公司0573-85866609 13325730825 · [email protected]
成都华纯科技有限公司400-1166-196 15982826727 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
济南尚博医药股份有限公司0531-61320525 15866703830 · [email protected]
广州市桐晖药业有限公司020-66392521-118 18922260391 · [email protected]
北京蓝博中兴科技有限公司010-56330744 15210344275 · [email protected]
广东翁江化学试剂有限公司0751-2815983 13927872582 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
DONBOO AMINO ACID COMPANY13063595538 · [email protected]
湖北清北云研医药科技有限责任公司18162595016; 18162595016 · [email protected]
Additional notes
DefinitionChEBI: Homoserine lactone is a butan-4-olide having an amino substituent at the 2-position. It has a role as an Escherichia coli metabolite. It is a primary amino compound and a butan-4-olide. It is a conjugate base of a homoserinium lactone.
Related reactions
15 records
Compound notes
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