137863-20-8

Name N-[2’-(1H-tetrazol-5-yl)biphenyl-4-yl methyl]-N-Valeryl-(L)-Valine benzyl ester
CAS 137863-20-8
EINECS(EC#) 604-047-3
Molecular Formula C31H35N5O3
MDL Number MFCD12407184
Molecular Weight 525.649
MOL File 137863-20-8.mol

Chemical Properties

Melting point  >71°C (dec.)
Boiling point  720.1±70.0 °C(Predicted)
density  1.180±0.06 g/cm3(Predicted)
vapor pressure  0-0Pa at 20-25℃
storage temp.  Sealed in dry,Room Temperature
solubility  Chloroform (Slightly), Methanol (Slightly)
form  neat
pka 4.15±0.10(Predicted)
color  White to Off-White
Major Application pharmaceutical small molecule
InChIKey VXKKFWDUSKMRNO-LJAQVGFWSA-N
SMILES CCCCC(=O)N(Cc1ccc(cc1)-c2ccccc2-c3nnn[nH]3)[C@@H](C(C)C)C(=O)OCc4ccccc4
LogP 2.43 at 25℃ and pH7.35
Surface tension 59.6-68.1mN/m at 10-100mg/L and 20℃

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302
Precautionary statements  P264-P270-P301+P312-P330-P501
Hazard Codes  Xn
Risk Statements 
WGK Germany  WGK 3
REACH Registrations Active
HS Code  2933997500
Storage Class 13 - Non Combustible Solids
Hazard Classifications Acute Tox. 4 Oral
Aquatic Chronic 1

Hazard Information

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