Guanidine, N,N'-bis(4-ethoxyphenyl)-

HCID 39724

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Basic information

CAS: 50577-32-7
Standard SMILES: CCOc1ccc(N=C(N)Nc2ccc(OCC)cc2)cc1
InChIKey: SKTJISGGWXVVBE-UHFFFAOYSA-N
Molecular formula: C17H21N3O2
Average molar mass: 299.37 g/mol
Monoisotopic mass: 299.16337692

Names & identifiers

Preferred name: Guanidine, N,N'-bis(4-ethoxyphenyl)-
IUPAC: 1,2-bis(4-ethoxyphenyl)guanidine

Names & synonyms

Di-p-phenethylguanidineN,N'-Bis(4-ethoxyphenyl)guanidineGUANIDINE, N,N'-BIS(4-ETHOXYPHENYL)-50577-32-7BRN 3422742DTXSID801985953-13-00-01114 (Beilstein Handbook Reference)RefChem:347003DTXCID40121086CHEMBL544569CHEMBL1193202SCHEMBL11234200

Show more names

SCHEMBL11234205BDBM50066053PD189088N,N''-BIS(4-ETHOXYPHENYL)GUANIDINEN,N''-Bis-(4-ethoxy-phenyl)-guanidine; hydrochloride

Database identifiers

CAS: 50577-32-7
PubChem CID: 39724
DTXSID: DTXSID80198595
ChEMBL: CHEMBL1193202、CHEMBL544569
Nikkaji: J993.774I

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 68.9 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 7
Heavy atoms: 22
Formal charge: 0
Complexity: 333

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