6-chloro-3,4-dihydro-2H-benzo[b][1,4]oxazin-7-amine

HCID 59020668

Notes Reactions

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Basic information

CAS: 908247-65-4
Standard SMILES: Nc1cc2c(cc1Cl)NCCO2
InChIKey: PAEICBYKFYZGIT-UHFFFAOYSA-N
Molecular formula: C8H9ClN2O
Average molar mass: 184.62 g/mol
Monoisotopic mass: 184.04034059

Names & identifiers

Preferred name: 6-chloro-3,4-dihydro-2H-benzo[b][1,4]oxazin-7-amine
IUPAC: 6-chloro-3,4-dihydro-2H-1,4-benzoxazin-7-amine

Names & synonyms

908247-65-46-chloro-3,4-dihydro-2H-benzo[b][1,4]oxazin-7-amineSCHEMBL3585740PAEICBYKFYZGIT-UHFFFAOYSA-NDTXSID601249554MFCD205282146-chloro-3,4-dihydro-2H-1,4-benzoxazin-7-amine6-Chloro-3,4-dihydro-2H-benzo[1,4]oxazin-7-ylamine

Database identifiers

CAS: 908247-65-4
PubChem CID: 59020668
DTXSID: DTXSID601249554

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 47.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 167

Related reactions

3 records

New reaction record

HRID 148252As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 970655As productuspto-grants-2007_12

HRID 2102953As productuspto-grants-2009_08

Compound notes

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