1-Phenanthrenamine
Basic information
- CAS
4176-53-8- Standard SMILES
Nc1cccc2c1ccc1ccccc12- InChIKey
CXZOCEZMGWOOFD-UHFFFAOYSA-N- Molecular formula
- C14H11N
- Average molar mass
- 193.24 g/mol
- Monoisotopic mass
- 193.08914936
Names & identifiers
- Preferred name
- 1-Phenanthrenamine
- IUPAC
- phenanthren-1-amine
- English name
- 1-Aminophenanthrene
- Molecular formula
- C14H11N
- Molecular weight
- 193.24
Names & synonyms
1-Aminophenanthrene1-Phenanthrenaminephenanthren-1-amine4176-53-88ZJ0019CP1DTXSID80961963RefChem:1056269DTXCID3013897771-PhenanthrylamineCCRIS 7002BRN 2803806Phenanthrenamine
Show more names
1-Phenanthrenamine (9ci)
UNII-8ZJ0019CP1aminophenanthrene4-12-00-03439 (Beilstein Handbook Reference)SCHEMBL131747SCHEMBL278672CHEMBL446150SCHEMBL29692971CXZOCEZMGWOOFD-UHFFFAOYSA-N
Database identifiers
- CAS
4176-53-8、64849-97-4- PubChem CID
- 77838
- DTXSID
DTXSID80961963- ChEMBL
CHEMBL446150- UNII
- 8ZJ0019CP1
- Nikkaji
- J34.542C
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 225
Physicochemical properties
- Melting point
- 145.5 °C · 145.5°C
- Boiling point
- 319.47 °C · 319.47°C (rough estimate)
- Density
- 1.1061 · 1.1061 (rough estimate)
- refractive index
- 1.585 · 1.5850 (estimate)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 8 ZJ0019CP1 · 8ZJ0019CP1
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Related reactions
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Compound notes
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