(S)-(+)-N-(3,5-Dinitrobenzoyl)-alpha-phenylethylamine Structure

(S)-(+)-N-(3,5-Dinitrobenzoyl)-alpha-phenylethylamine

Chemical Properties

Melting point 158-161 °C(lit.)
Boiling point 482.881±45.00 °C(Press: 760.00 Torr)(predicted)
Density  1.43 g/cm³
pka 12.269±0.46(predicted)
optical activity [α]20/D +46.2°, c = 0.9 in acetone
BRN  3627249
InChI 1S/C15H13N3O5/c1-10(11-5-3-2-4-6-11)16-15(19)12-7-13(17(20)21)9-14(8-12)18(22)23/h2-10H,1H3,(H,16,19)/t10-/m0/s1
InChIKey ABEVDCGKLRIYRW-JTQLQIEISA-N
SMILES C[C@H](NC(=O)c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O)c2ccccc2
CAS DataBase Reference 69632-31-1
UNSPSC Code 12352102
NACRES NA.22

Safety

Symbol(GHS) Exclamation Mark (GHS07)
Hazard statements H315-H319-H335
Precautionary statements P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  26-36
WGK Germany  3
Storage Class 13 - Non Combustible Solids
NFPA 704:
0
2 0

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