Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID008703

Phytochemical name: Methylguanidine

Synonymous chemical names:
methylguanidine

External chemical identifiers:
CID:CID_10111, ChEBI:CHEBI:16628, ZINC:ZINC000004658576, FDASRS:5L0H5Q9VAG, SureChEMBL:SCHEMBL181641

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Chemical structure information

SMILES:
CN=C(N)N

InChI:
InChI=1S/C2H7N3/c1-5-2(3)4/h1H3,(H4,3,4,5)

InChIKey:
CHJJGSNFBQVOTG-UHFFFAOYSA-N

DeepSMILES:
CN=CN)N

Functional groups:
CN=C(N)N

Link to spectral information:
MSBNK-RIKEN_ReSpect-PS029904, MSBNK-RIKEN_ReSpect-PS029902, MSBNK-RIKEN_ReSpect-PS029901, MSBNK-RIKEN_ReSpect-PS029903, MSBNK-Antwerp_Univ-METOX_P102001_F638, MSBNK-Antwerp_Univ-METOX_P102001_EF88, MSBNK-Antwerp_Univ-METOX_P102001_FB57

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic nitrogen compounds

ClassyFire Class: Organonitrogen compounds

ClassyFire Subclass: Guanidines

NP Classifier Biosynthetic pathway: Alkaloids

NP-Likeness score: 0.216

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Chemical structure download