(1r,4r)-4-((((Tert-butoxy)carbonyl)amino)methyl)cyclohexane-1-carboxylic acid

HCID 736918

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Grundinformationen

CAS: 162046-58-4
Standard-SMILES: CC(C)(C)OC(=O)NCC1CCC(C(=O)O)CC1
InChIKey: AZEKNJGFCSHZID-UHFFFAOYSA-N
Summenformel: C13H23NO4
Durchschnittliche Molmasse: 257,33 g/mol
Monoisotopische Masse: 257,16270822

Namen und Bezeichner

Bevorzugter Name: (1r,4r)-4-((((Tert-butoxy)carbonyl)amino)methyl)cyclohexane-1-carboxylic acid
IUPAC: 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexane-1-carboxylic acid
Englischer Name: BOC-(4-AMINOMETHYL)-CYCLOHEXANE-CARBOXYLIC ACID
Summenformel: C13H23NO4
Molmasse: 257.33

Namen und Synonyme

27687-14-5847416-70-0(1r,4r)-4-({[(tert-butoxy)carbonyl]amino}methyl)cyclohexane-1-carboxylic acid(1r,4r)-4-((((Tert-butoxy)carbonyl)amino)methyl)cyclohexane-1-carboxylic acidrac-(1s,4s)-4-((((tert-butoxy)carbonyl)amino)methyl)cyclohexane-1-carboxylic acidrac-(1s,4s)-4-({[(tert-butoxy)carbonyl]amino}methyl)cyclohexane-1-carboxylic acidRefChem:393458830-276-5990-511-3162046-58-4Boc-4-Amc-OHBOC-TRANEXAMIC ACID

Weitere Namen anzeigen

4-(TERT-BUTOXYCARBONYLAMINO-METHYL)-CYCLOHEXANECARBOXYLIC ACIDBoc-4-Amc-OH(cis/trans mixture)Boc-4-aminomethylcyclohexane carboxylic acid≥ 98% (NMR)(1R,4R)-4-(((tert-Butoxycarbonyl)aMino)Methyl)cyclohexanecarboxylic acidBOC-AMC-OHBUTTPARK 52\04-68IFLAB-BB F2108-0060Tranexamic Acid Impurity 23Tranexamic Acid Related Compound 3

4-(((tert-Butoxycarbonyl)amino)methyl)cyclohexanecarboxylic acidtrans-4-(tert-Butoxycarbonylaminomethyl)cyclohexanecarboxylic Acidcis-(1,1-Dimethylethoxy)carbonyl Tranexamic Acid4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexane-1-carboxylic AcidMFCD01862289MFCD00673773trans-4-(((tert-Butoxycarbonyl)amino)methyl)cyclohexanecarboxylic acidtrans-4-N-Boc-Aminomethyl-cyclohexanecarboxylic acid

Datenbank-Bezeichner

CAS: 162046-58-4、27687-14-5、847416-70-0
PubChem CID: 736918
DTXSID: DTXSID601347564
ChEMBL: CHEMBL5308331
EC Number: 144-352-4、830-276-5、990-511-3
Nikkaji: J3.151.644G、J3.151.645E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,9
Polarare Oberfläche (TPSA): 75,6 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 5
Schwere Atome: 18
Formalladung: 0
Komplexität: 301

Physikochemische Eigenschaften

Siedepunkt: 410 · 410.0±18.0 °C(Predicted)
Dichte: 1.096 · 1.096±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: Chloroform, Ethyl Acetate
Aggregatzustand: Solid
pka: 4.85 · 4.85±0.10(Predicted)
Farbe: Off White

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Warning

H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning