Basic information
- CAS
304870-34-6- Standard SMILES
Nc1ncnc2c1C1(CCCC1)Cc1ccccc1-2- InChIKey
UEARIUHHXUNAIO-UHFFFAOYSA-N- Molecular formula
- C16H17N3
- Average molar mass
- 251.33 g/mol
- Monoisotopic mass
- 251.14224756
Names & identifiers
- Preferred name
- 6H-spiro(benzo(h)quinazoline-5,1'-cyclopentane)-4-amine
- IUPAC
- spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-amine
Names & synonyms
6H-spiro[benzo[h]quinazoline-5,1'-cyclopentane]-4-amine304870-34-66H-spiro(benzo(h)quinazoline-5,1'-cyclopentane)-4-amineRefChem:544670851-779-6spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-amineOprea1_769691CHEMBL4794393EMA87034CS-0261738EN300-79760AE-848/31946018
Show more names
5,6-dihydrospiro(benzo[h]quinazoline-5,1'-cyclopentane)-4-amine
Database identifiers
- CAS
304870-34-6- PubChem CID
- 910983
- ChEMBL
CHEMBL4794393- EC Number
- 851-779-6
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 337
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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