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Desylamine

HCID 13446
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

CAS
3723-23-7
Standard SMILES
NC(C(=O)c1ccccc1)c1ccccc1
InChIKey
LKPGGRAYFGWREN-UHFFFAOYSA-N
Molecular formula
C14H13NO
Average molar mass
211.26 g/mol
Monoisotopic mass
211.09971404

Names & identifiers

Preferred name
Desylamine
IUPAC
2-amino-1,2-diphenylethanone
English name
[S,(+)]-α-Amino-α-phenylacetophenone
Molecular formula
C14H13NO
Molecular weight
211.26

Names & synonyms

Desylamine3723-23-7DTXSID00274527RefChem:336828DTXCID402260002-Amino-1,2-diphenylethan-1-one2-amino-1,2-diphenylethanonedesylamin2-amino-1,2-diphenyl-ethanoneAcetophenone, 2-amino-2-phenyl-2-Amino-2-phenylacetophenoneSCHEMBL4919231
Show more names
(+)-Desylaminems-Aminodesoxybenzoinα-Amino-α-phenylacetophenone[R,(-)]-α-Amino-α-phenylacetophenone[S,(+)]-α-Amino-α-phenylacetophenone
NSC126382STL301398AKOS010297285NSC-126382CS-0289912EN300-146131

Database identifiers

CAS
3723-23-7
PubChem CID
13446
DTXSID
DTXSID00274527
Nikkaji
J8.662B

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
43.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
16
Formal charge
0
Complexity
227

Physicochemical properties

Melting point
214 · 214-220 °C (decomp)
Boiling point
363.56 · 363.560±30.00 °C(Press: 760.00 Torr)(predicted)
Density
1.135 · 1.135±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
pka
6.782 · 6.782±0.10(predicted)

Related reactions

1 records
New reaction record
HRID 2320396 reaction equation
HRID 2320396As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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