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OG8

Summary
Name:1-(1-adamantylmethyl)guanidine
Formula:C12 H21 N3
Formal charge:0
Formula weight:207.315 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.71-(1-adamantylmethyl)guanidine

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C12H21N3/c13-11(14)15-7-12-4-8-1-9(5-12)3-10(2-8)6-12/h8-10H,1-7H2,(H4,13,14,15)/t8-,9+,10-,12-
InChIKeyInChI1.03GAYYIZMRYZOIJI-GOCCLTDMSA-N
SMILES_CANONICALCACTVS3.385NC(=N)NCC12CC3CC(CC(C3)C1)C2
SMILESCACTVS3.385NC(=N)NCC12CC3CC(CC(C3)C1)C2
SMILES_CANONICALOpenEye OEToolkits2.0.7[H]/N=C(\N)/NCC12CC3CC(C1)CC(C3)C2
SMILESOpenEye OEToolkits2.0.7C1C2CC3CC1CC(C2)(C3)CNC(=N)N

222624

数据于2024-07-17公开中

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