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71K

Summary
Name:2-methylbenzene-1,3-diamine
Formula:C7 H10 N2
Formal charge:0
Formula weight:122.168 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-methylbenzene-1,3-diamine
OpenEye OEToolkits2.0.52-methylbenzene-1,3-diamine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1ccc(c(c1N)C)N
InChIInChI1.03InChI=1S/C7H10N2/c1-5-6(8)3-2-4-7(5)9/h2-4H,8-9H2,1H3
InChIKeyInChI1.03RLYCRLGLCUXUPO-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1c(N)cccc1N
SMILESCACTVS3.385Cc1c(N)cccc1N
SMILES_CANONICALOpenEye OEToolkits2.0.5Cc1c(cccc1N)N
SMILESOpenEye OEToolkits2.0.5Cc1c(cccc1N)N

222415

PDB entries from 2024-07-10

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