Basic information
- CAS
246547-26-2- Standard SMILES
CCOC(=O)C1(N)CCOCC1- InChIKey
XYMJJESBEUZDJM-UHFFFAOYSA-N- Molecular formula
- C8H15NO3
- Average molar mass
- 173.21 g/mol
- Monoisotopic mass
- 173.10519334
Names & identifiers
- Preferred name
- 4-Aminotetrahydro-2H-pyran-4-carboxylic acid ethyl ester
- IUPAC
- ethyl 4-aminooxane-4-carboxylate
- English name
- 4-Aminotetrahydropyran-4-carboxylic acid ethyl ester
- Molecular formula
- C8H15NO3
- Molecular weight
- 173.21
Names & synonyms
246547-26-2RefChem:5183104-Aminotetrahydro-2H-pyran-4-carboxylic acid ethyl ester111-250-6Ethyl 4-aminotetrahydro-2H-pyran-4-carboxylate4-aminotetrahydropyran-4-carboxylic acid ethyl esterethyl 4-aminooxane-4-carboxylateMFCD06797581Ethyl 4-aminotetrahydropyran-4-carboxylate4-AMINOTETRAHYDROPYRAN-4-CARBOSCHEMBL3196701XYMJJESBEUZDJM-UHFFFAOYSA-N
Show more names
2H-Pyran-4-carboxylic acid, 4-aminotetrahydro-, ethyl ester
ALBB-030178AKOS010013622BS-49727SY287999DB-416413CS-0151862EN300-69712Ethyl4-aminotetrahydro-2H-pyran-4-carboxylate
Database identifiers
- CAS
246547-26-2- PubChem CID
- 54495071
- EC Number
- 111-250-6
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 61.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 164
Physicochemical properties
- storage temp.
- -20 °C · Keep in dark place,Sealed in dry,Store in freezer, under -20°C
- form
- solid
- InChI
- 1S/C8H15NO3/c1-2-12-7(10)8(9)3-5-11-6-4-8/h2-6,9H2,1H3
- InChIKey
- XYMJJESBEUZDJM-UHFFFAOYSA-N
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 · Eye Irrit. 2
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Safety data
- wgk
- WGK 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H319
- Hazard Classifications
- Eye Irrit. 2
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313
Chemistry & industry
Suppliers23 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
杭州莱晟生物科技有限公司13456210265 · [email protected]
北京伊诺凯科技有限公司15652467323 · [email protected]
台州南峰药物研究所[email protected] 18616377689 · [email protected]
上海笛柏生物科技有限公司400-008-9730,021-54359730 400-008-9730 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
郑州九亿时光新材料有限公司+86-15225627621 +86-13213167925 · [email protected]
北京建强伟业科技有限公司（FUSION弗珍试剂品牌）0531-88924771 15614660963 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
上海诚合医药科技有限公司
Related reactions
4 records
Compound notes
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