3-Phenanthrylamine
Basic information
- CAS
1892-54-2- Standard SMILES
Nc1ccc2ccc3ccccc3c2c1- InChIKey
HUWRJSZODLRHMY-UHFFFAOYSA-N- Molecular formula
- C14H11N
- Average molar mass
- 193.24 g/mol
- Monoisotopic mass
- 193.08914936
Names & identifiers
- Preferred name
- 3-Phenanthrylamine
- IUPAC
- phenanthren-3-amine
- English name
- Phenanthrene-3-amine
- Molecular formula
- C14H11N
- Molecular weight
- 193.24
Names & synonyms
3-Phenanthrenamine3-Phenanthrylamine3-AminophenanthrenePhenanthrene-3-aminePhenanthrene, 3-aminoCCRIS 7004NSC 141594BRN 2092693UNII-31408D985FAI3-17499DTXSID20172319NSC-141594
Show more names
31408D985F4-12-00-03441 (Beilstein Handbook Reference)RefChem:95290DTXCID5094810HUWRJSZODLRHMY-UHFFFAOYSA-Nphenanthren-3-amine1892-54-2MFCD00019108
Database identifiers
- CAS
1892-54-2- PubChem CID
- 74691
- DTXSID
DTXSID20172319- ChEMBL
CHEMBL84122- UNII
- 31408D985F
- Nikkaji
- J34.543A
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
- 87.5 °C · 87.5°C
- Boiling point
- 319.47 °C · 319.47°C (rough estimate)
- Density
- 1.208 · 1.208
- refractive index
- 1.585 · 1.5850 (estimate)
- storage temp.
- 2 · 2-8°C
- pka
- 4.32 · 4.32±0.30(Predicted)
- color
- Crystals from ligroin
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 31408 D985F · 31408D985F
- Comptox DTXSID
- 20172319 · DTXSID20172319
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 227 · H227
- Precautionary statements
- 501 · P501-P210-P280-P370+P378-P403+P235
- HS Code
- 2921499090 · 2921499090
- Toxicity
- 200 ng/plate · mma-sat 200 ng/plate ENMUDM 6,497,84
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
- hs_code
- 2921499090
- Toxicity
- mma-sat 200 ng/plate ENMUDM 6,497,84
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H227
- Precautionary statements
- P501-P210-P280-P370+P378-P403+P235
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
1 records
Compound notes
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