111060-52-7

Name (S)-(+)-2-DIBENZYLAMINO-3-PHENYL-1-PROPANOL
CAS 111060-52-7
Molecular Formula C23H25NO
MDL Number MFCD00191984
Molecular Weight 331.45
MOL File 111060-52-7.mol

Chemical Properties

Melting point  72-74 °C (lit.)
Boiling point  488.0±33.0 °C(Predicted)
density  1.111±0.06 g/cm3(Predicted)
form  solid
pka 14.67±0.10(Predicted)
Optical Rotation [α]20/D +8.0°, c = 4 in methanol
BRN  7253058
InChI 1S/C23H25NO/c25-19-23(16-20-10-4-1-5-11-20)24(17-21-12-6-2-7-13-21)18-22-14-8-3-9-15-22/h1-15,23,25H,16-19H2/t23-/m0/s1
InChIKey ZXNVOFMPUPOZDF-QHCPKHFHSA-N
SMILES OC[C@H](Cc1ccccc1)N(Cc2ccccc2)Cc3ccccc3
CAS DataBase Reference 111060-52-7(CAS DataBase Reference)

Safety Data

Hazard Codes  Xi
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
WGK Germany  3
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

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