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96B

Summary
Name:(2R)-2-phenylpyrrolidine
Formula:C10 H13 N
Formal charge:0
Formula weight:147.217 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(2R)-2-phenylpyrrolidine
OpenEye OEToolkits1.9.2(2R)-2-phenylpyrrolidine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01N1C(CCC1)c2ccccc2
InChIInChI1.03InChI=1S/C10H13N/c1-2-5-9(6-3-1)10-7-4-8-11-10/h1-3,5-6,10-11H,4,7-8H2/t10-/m1/s1
InChIKeyInChI1.03JUTDHSGANMHVIC-SNVBAGLBSA-N
SMILES_CANONICALCACTVS3.385C1CN[C@H](C1)c2ccccc2
SMILESCACTVS3.385C1CN[CH](C1)c2ccccc2
SMILES_CANONICALOpenEye OEToolkits1.9.2c1ccc(cc1)[C@H]2CCCN2
SMILESOpenEye OEToolkits1.9.2c1ccc(cc1)C2CCCN2

227344

数据于2024-11-13公开中

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