Basic information
- CAS
5117-89-5- Standard SMILES
N#Cc1c(N)oc2c1CCCC2- InChIKey
YOZTUVGTXWSPCM-UHFFFAOYSA-N- Molecular formula
- C9H10N2O
- Average molar mass
- 162.19 g/mol
- Monoisotopic mass
- 162.07931294
Names & identifiers
- Preferred name
- ST050948
- IUPAC
- 2-amino-4,5,6,7-tetrahydro-1-benzofuran-3-carbonitrile
Names & synonyms
5117-89-5ST050948DTXSID80350075RefChem:381398DTXCID003011452-amino-4,5,6,7-tetrahydrobenzofuran-3-carbonitrile2-amino-4,5,6,7-tetrahydro-1-benzofuran-3-carbonitrileMFCD03035248Oprea1_138649SCHEMBL47648923-Benzofurancarbonitrile, 2-amino-4,5,6,7-tetrahydro-YOZTUVGTXWSPCM-UHFFFAOYSA-N
Show more names
AKOS000280894DA-05335CS-03650402-amino-4,5,6,7-tetrahydrobenzo[1,2-b]furan-3-carbonitrile
Database identifiers
- CAS
5117-89-5- PubChem CID
- 673083
- DTXSID
DTXSID80350075
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 63 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 220
Related reactions
1 records
Compound notes
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