130532-76-2

Name 8-((tert-Butoxycarbonyl)amino)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
CAS 130532-76-2
Molecular Formula C16H21NO4
MDL Number MFCD23701688
Molecular Weight 291.34
MOL File 130532-76-2.mol

Chemical Properties

Melting point  209-210.5 °C
Boiling point  460.0±44.0 °C(Predicted)
density  1.21±0.1 g/cm3(Predicted)
storage temp.  2-8°C
form  solid
pka 4.34±0.40(Predicted)
InChI 1S/C16H21NO4/c1-16(2,3)21-15(20)17-13-6-4-5-10-7-8-11(14(18)19)9-12(10)13/h7-9,13H,4-6H2,1-3H3,(H,17,20)(H,18,19)
InChIKey PSEAKRBXZOBNFR-UHFFFAOYSA-N
SMILES O=C(O)C1=CC=C(C2=C1)CCCC2NC(OC(C)(C)C)=O

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)Environment (GHS09)
GHS07,GHS09
Signal word  Warning
Hazard statements  H315-H317-H319-H410
Precautionary statements  P261-P264-P273-P280-P280-P391
WGK Germany  WGK 3
Storage Class 11 - Combustible Solids
Hazard Classifications Aquatic Acute 1
Aquatic Chronic 1
Eye Irrit. 2
Skin Irrit. 2
Skin Sens. 1

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