1001401-60-0
Product Name:
1H-1,4-Diazepine-1-carboxylic acid, hexahydro-5-Methyl-, phenylMethyl ester, (5R)-
Formula:
C14H20N2O2
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SAFETY INFORMATION
Signal word | Warning |
---|---|
Pictogram(s) |
Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H302:Acute toxicity,oral H412:Hazardous to the aquatic environment, long-term hazard |
Precautionary Statement Codes |
P273:Avoid release to the environment. |
COMPUTED DESCRIPTORS
Molecular Weight | 248.32 g/mol |
---|---|
XLogP3 | 1.8 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 3 |
Rotatable Bond Count | 3 |
Exact Mass | 248.152477885 g/mol |
Monoisotopic Mass | 248.152477885 g/mol |
Topological Polar Surface Area | 41.6 Ų |
Heavy Atom Count | 18 |
Formal Charge | 0 |
Complexity | 265 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 1 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |