(8-Methyl-8-azabicyclo[3.2.1]octan-3-yl)2-[4-(trifluoromethyl)phenyl]prop-2-enoate;(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)2-[4-(trifluoromethyl)phenyl]prop-2-enoate; hydrate

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CAS
64048-79-9
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Catalog Number

ACM64048799

Product Name

(8-Methyl-8-azabicyclo[3.2.1]octan-3-yl)2-[4-(trifluoromethyl)phenyl]prop-2-enoate;(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)2-[4-(trifluoromethyl)phenyl]prop-2-enoate; hydrate

CAS

64048-79-9

Category

Heterocyclic Organic Compound

Synonyms

CID46823, LS-22219, 3-Tropanyl 4-(trifluoromethyl)atropate quarterhydrate, 4-(Trifluoromethyl)atropic acid, 3-tropanyl ester, quarterhydrate, ATROPIC ACID, 4-(TRIFLUOROMETHYL)-, 3-TROPANYL ESTER, QUARTERHYDRATE, 64048-79-9

IUPAC Name

(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-[4-(trifluoromethyl)phenyl]prop-2-enoate hydrate

Molecular Weight

1375.42 g/mol

Molecular Formula

C₇₂H₈₂F₁₂N₄O₉

Canonical SMILES

CN1C2CCC1CC(C2)OC(=O)C(=C)C3=CC=C(C=C3)C(F)(F)F.CN1C2CCC1CC(C2)OC(=O)C(=C)C3=CC=C(C=C3)C(F)(F)F.CN1C2CCC1CC(C2)OC(=O)C(=C)C3=CC=C(C=C3)C(F)(F)F.CN1C2CCC1CC(C2)OC(=O)C(=C)C3=CC=C(C=C3)C(F)(F)F.O

InChI Key

JODMGWMPQPXDHV-UHFFFAOYSA-N

Boiling Point

392.7ºC at 760 mmHg

Flash Point

191.3ºC

Exact Mass

1374.59000

H-Bond Acceptor

H-Bond Donor

MSDS

Download MSDS