109010-60-8

Name S-ATBA
CAS 109010-60-8
EINECS(EC#) 1806241-263-5
Molecular Formula C24H29ClN2O5
MDL Number MFCD00895734
Molecular Weight 460.95
MOL File 109010-60-8.mol

Chemical Properties

Appearance Off-White Solid
Melting point  115-116°C
alpha  -270 º (c=0.5, EtOH)
Boiling point  483.2±45.0 °C(Predicted)
density  1.133±0.06 g/cm3(Predicted)
storage temp.  Keep in dark place,Inert atmosphere,2-8°C
solubility  DMSO: ~34 mg/mL, soluble
form  solid
pka 7.37±0.20(Predicted)
color  white
Optical Rotation Consistent with structure
Usage An intermediate in the synthesis of benazepril
Major Application pharmaceutical (small molecule)
InChI InChI=1S/C16H22N2O3/c1-16(2,3)21-14(19)10-18-13-7-5-4-6-11(13)8-9-12(17)15(18)20/h4-7,12H,8-10,17H2,1-3H3/t12-/m0/s1
InChIKey QTEDVVHLTMELTB-LBPRGKRZSA-N
SMILES N1(CC(OC(C)(C)C)=O)C2=CC=CC=C2CC[C@H](N)C1=O
CAS DataBase Reference 109010-60-8(CAS DataBase Reference)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H315-H317-H335
Precautionary statements  P264-P280-P302+P352-P321-P332+P313-P362-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Safety Statements 
S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
WGK Germany  2
RTECS  CX7065000
REACH Registrations Active
HS Code  2933790002
Storage Class 11 - Combustible Solids

Hazard Information

Spectrum Detail

Supplier