(Imino(methylamino)methyl)urea

HCID 39428

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Basic information

CAS: 44648-02-4
Standard SMILES: CN=C(N)NC(N)=O
InChIKey: JHZLFAAUEHTQBY-UHFFFAOYSA-N
Molecular formula: C3H8N4O
Average molar mass: 116.12 g/mol
Monoisotopic mass: 116.06981089

Names & identifiers

Preferred name: (Imino(methylamino)methyl)urea
IUPAC: (N'-methylcarbamimidoyl)urea

Names & synonyms

44648-02-4(IMINO(METHYLAMINO)METHYL)UREADTXSID10196261RefChem:210555DTXCID20118752Urea, N-[imino(methylamino)methyl]-MethylguanylharnstoffN-(N'-Methylcarbamimidoyl)ureaSCHEMBL8143653SCHEMBL8143655SCHEMBL8143657SCHEMBL17198966

Show more names

SCHEMBL18690891SCHEMBL18690892Urea,N-[imino(methylamino)methyl]-AKOS006337186

Database identifiers

CAS: 44648-02-4
PubChem CID: 39428
DTXSID: DTXSID10196261
Nikkaji: J1.618.671F

Properties

Computed structural properties

XLogP: -1.1
Topological polar surface area: 93.5 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 8
Formal charge: 0
Complexity: 118

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