Basic information
- CAS
332898-09-6- Standard SMILES
Cc1ccc2oc(N=C(N)N)nc2c1- InChIKey
GNJXROFFRNCGLI-UHFFFAOYSA-N- Molecular formula
- C9H10N4O
- Average molar mass
- 190.2 g/mol
- Monoisotopic mass
- 190.08546096
Names & identifiers
- Preferred name
- N-(5-methyl-1,3-benzoxazol-2-yl)guanidine
- IUPAC
- 2-(5-methyl-1,3-benzoxazol-2-yl)guanidine
- English name
- N-(5-Methyl-benzooxazol-2-yl)-guanidine
- Molecular formula
- C9H10N4O
- Molecular weight
- 190.2
Names & synonyms
N-(5-methyl-1,3-benzoxazol-2-yl)guanidine332898-09-6DTXSID60389585RefChem:362389DTXCID303404461-(5-Methylbenzo[d]oxazol-2-yl)guanidine2-(5-methyl-1,3-benzoxazol-2-yl)guanidine1-(5-methyl-1,3-benzoxazol-2-yl)guanidineN-(5-Methyl-benzooxazol-2-yl)-guanidineMFCD01796091guanidine, N-(5-methyl-2-benzoxazolyl)-amino(5-methylbenzoxazol-2-yl)carboxamidine
Show more names
AKOS B016036ASISCHEM T03044AKOS BBS-00005692ART-CHEM-BB B016036TIMTEC-BB SBB009389TOSLAB-BB TOS-BB-1291N-(5-Methyl-2-benzoxazolyl)guanidine
SCHEMBL23933064ALBB-022132SBB009389STK069746AKOS000270665LS-06865DB-265816CS-0282065
Database identifiers
- CAS
332898-09-6- PubChem CID
- 3127085
- DTXSID
DTXSID60389585
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 90.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 239
Physicochemical properties
- Boiling point
- 335.1 · 335.1±35.0 °C(Predicted)
- Density
- 1.47 · 1.47±0.1 g/cm3(Predicted)
- pka
- 8.97 · 8.97±0.30(Predicted)
Chemistry & industry
Suppliers2 total
南京世洲生物科技有限公司025-85560043 13675144456 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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