Guanidine, (1-phenylethyl)-, (+)-
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Basic information
- CAS
532-57-0- Standard SMILES
CC(N=C(N)N)c1ccccc1- InChIKey
KDEAYTOFKXHILE-UHFFFAOYSA-N- Molecular formula
- C9H13N3
- Average molar mass
- 163.22 g/mol
- Monoisotopic mass
- 163.11094743
Names & identifiers
- Preferred name
- Guanidine, (1-phenylethyl)-, (+)-
- IUPAC
- 2-(1-phenylethyl)guanidine
- English name
- Benzy (methyl) guanidine hemisulfate salt
- Molecular formula
- C9H13N3
- Molecular weight
- 163.22
Names & synonyms
532-57-0Guanidine, (1-phenylethyl)-, (+)-RefChem:3466921-(1-Phenylethyl)guanidineN-(1-phenylethyl)guanidine2-(1-phenylethyl)guanidine7586-43-8N''-(1-PHENYLETHYL)GUANIDINEamino(phenylethyl)carboxamidineSCHEMBL837643SCHEMBL6682071SCHEMBL7020087
Show more names
Guanidine, N-(1-phenylethyl)-N-(1-phenylethyl)guanidine(SALTDATA: HCl)Benzy (methyl) guanidine hemisulfate salt
SCHEMBL7638462DTXSID501299918SBB051565STL430412AKOS009145659DB-209496ST4149948
Database identifiers
- CAS
532-57-0- PubChem CID
- 228028
- DTXSID
DTXSID501299918- Nikkaji
- J1.678.014F
Properties
Computed structural propertiesFilling in
- XLogP
- 0.7
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 155
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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