Basic information
- CAS
39124-20-4- Standard SMILES
NC1(C(=O)O)CCOCC1- InChIKey
DPDPQQHHTHKSRN-UHFFFAOYSA-N- Molecular formula
- C6H11NO3
- Average molar mass
- 145.16 g/mol
- Monoisotopic mass
- 145.07389321
Names & identifiers
- Preferred name
- 4-aminotetrahydro-2H-pyran-4-carboxylic acid
- IUPAC
- 4-aminooxane-4-carboxylic acid
- English name
- 4-Amino-tetrahydro-pyran-4-carboxylic acid
- Molecular formula
- C6H11NO3
- Molecular weight
- 145.16
Names & synonyms
39124-20-44-aminotetrahydro-2H-pyran-4-carboxylic acidDTXSID10370286RefChem:518309DTXCID40321322803-864-44-aminooxane-4-carboxylic Acid4-Aminotetrahydropyran-4-carboxylic Acid4-Amino-tetrahydro-pyran-4-carboxylic acidMFCD066561122H-PYRAN-4-CARBOXYLIC ACID, 4-AMINOTETRAHYDRO-CHEMBL296778
Show more names
H-THPGly-OHH-THP-OH1,1-AC-PYRAN4-AMINOTETRAHYDRO-2H-PYRAN-4-C4-azaniumyloxane-4-carboxylate4-ammoniotetrahydropyran-4-carboxylate4-ammonio-4-tetrahydropyrancarboxylate4-azaniumyltetrahydropyran-4-carboxylate
4-amino-2H-3,4,5,6-tetrahydropyran-4-carboxylic acidZA6UM8GBA44-AMINO-4-TETRAHYDROPYRANCARBOXYLIC ACIDSCHEMBL1586024-amino-4-carboxytetrahydropyranALBB-014762BDBM50070634SBB027210
Database identifiers
- CAS
39124-20-4- PubChem CID
- 2734401
Properties
Computed structural properties
- XLogP
- -3.2
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 140
Physicochemical properties
- Melting point
- 265 °C · >265°C (dec.)
- Boiling point
- 299.4 · 299.4±40.0 °C(Predicted)
- Density
- 1.254 · 1.254±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- Aqueous Base (Slightly), Water (Slightly)
- form
- Solid
- pka
- 2.06 · 2.06±0.20(Predicted)
- color
- Off-White
- InChI
- InChI=1S/C6H11NO3/c7-6(5(8)9)1-3-10-4-2-6/h1-4,7H2,(H,8,9)
- InChIKey
- DPDPQQHHTHKSRN-UHFFFAOYSA-N
- SMILES
- C1OCCC(N)(C(O)=O)C1
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H315-H318-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
- Hazard Codes
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (97.5%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (97.5%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (97.5%)；Eye Dam. 1 (97.5%)；STOT SE 3 (100%)
Safety data
- hs_code
- 2932990090
- risk_code
- 22-37/38-41
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xn
- safety_code
- 26-39
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H318-H335
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Applications
Uses4-Aminotetrahydro-2H-pyran-4-carboxylic acid has been examined as potential inhibitor of the enzyme S-adenosylmethionine (AdoMet) synthetase.
Suppliers100 total
杭州创引化工科技有限公司0571-87086220 13516718938 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
江苏生康迈翔科技有限公司18217475093 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
北京炎礼生物科技有限公司18600731423 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
南京正济医药研究有限公司0512-62750571 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Related reactions
7 records
Compound notes
Loading…