4-aminotetrahydro-2H-pyran-4-carboxylic acid

HCID 2734401
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Grundinformationen

CAS
39124-20-4
Standard-SMILES
NC1(C(=O)O)CCOCC1
InChIKey
DPDPQQHHTHKSRN-UHFFFAOYSA-N
Summenformel
C6H11NO3
Durchschnittliche Molmasse
145,16 g/mol
Monoisotopische Masse
145,07389321

Namen und Bezeichner

Bevorzugter Name
4-aminotetrahydro-2H-pyran-4-carboxylic acid
IUPAC
4-aminooxane-4-carboxylic acid
Englischer Name
4-Amino-tetrahydro-pyran-4-carboxylic acid
Summenformel
C6H11NO3
Molmasse
145.16

Namen und Synonyme

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
Weitere Namen anzeigen
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

Datenbank-Bezeichner

CAS
39124-20-4
PubChem CID
2734401
DTXSID
DTXSID10370286
ChEMBL
CHEMBL296778
UNII
ZA6UM8GBA4
EC Number
803-864-4

Eigenschaften

Berechnete Struktureigenschaften

XLogP
-3,2
Polarare Oberfläche (TPSA)
72,6 Ų
H-Brücken-Donoren
2
H-Brücken-Akzeptoren
4
Frei drehbare Bindungen
1
Schwere Atome
10

Physikochemische Eigenschaften

Schmelzpunkt
265 °C · >265°C (dec.)
Siedepunkt
299.4 · 299.4±40.0 °C(Predicted)
Dichte
1.254 · 1.254±0.06 g/cm3(Predicted)
storage temp.
Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit
Aqueous Base (Slightly), Water (Slightly)
Aggregatzustand
Solid

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

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.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (97.5%)；Eye Dam. 1 (97.5%)；STOT SE 3 (100%)

Sicherheitsdaten

hs_code
2932990090
risk_code
22-37/38-41
hazard_code
Xn
safety_code
26-39
hazard_class
IRRITANT

Chemie und Industrie

Anbieter100 Anbieter

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]

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