Basic information
- CAS
93794-06-0- Standard SMILES
N#CCCN(N)c1nc2ccccc2o1- InChIKey
BTWPJQHMHFDOPH-UHFFFAOYSA-N- Molecular formula
- C10H10N4O
- Average molar mass
- 202.21 g/mol
- Monoisotopic mass
- 202.08546096
Overview
structure given in first source; inhibits immune complex-induced inflammation
Names & identifiers
- Preferred name
- 3-(1-(2-Benzoxazolyl)hydrazino)propanenitrile
- IUPAC
- 3-[amino(1,3-benzoxazol-2-yl)amino]propanenitrile
- English name
- 3-(1-(2-benzoxazolyl)hydrazino)propanenitrile
- Molecular formula
- C10H10N4O
- Molecular weight
- 202.21
Names & synonyms
93794-06-03-(1-(2-Benzoxazolyl)hydrazino)propanenitrile3-BhpnDTXSID30239649RefChem:92046DTXCID301621403-[1-(1,3-benzoxazol-2-yl)hydrazino]propanenitrile3-(1-(Benzo[d]oxazol-2-yl)hydrazinyl)propanenitrile3-[amino(1,3-benzoxazol-2-yl)amino]propanenitrile3-[1-(1,3-benzoxazol-2-yl)hydrazin-1-yl]propanenitrileMFCD10758061CHEMBL50442
Show more names
Propanenitrile, 3-[1-(2-benzoxazolyl)hydrazinyl]-
SCHEMBL10807608AKOS005071873BC-0721CS-03654973-[1-(1,3-benzoxazol-2-yl)hydrazino] propanenitrile
Database identifiers
- CAS
93794-06-0- PubChem CID
- 125083
- DTXSID
DTXSID30239649- ChEMBL
CHEMBL50442
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 79.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 261
Experimental & physicochemical properties
LogP0.9
Physicochemical properties
- Melting point
- 167 · 167-170°
- Boiling point
- 405.5 · 405.5±47.0 °C(Predicted)
- Density
- 1.338 · 1.338±0.06 g/cm3(Predicted)
- pka
- 2.82 · 2.82±0.10(Predicted)
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers2 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
南京世洲生物科技有限公司025-85560043 13675144456 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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