| CAS Number | 915923-47-6 |
| Catalog Number | AG006SYQ(AGN-PC-0WB3OM) |
| Chemical Name | 3-(4-Methyl-1,4-diazepan-1-yl)propanoic acid |
| IUPAC Name | 3-(4-methyl-1,4-diazepan-1-yl)propanoic acid |
| InChI | InChI=1S/C9H18N2O2/c1-10-4-2-5-11(8-7-10)6-3-9(12)13/h2-8H2,1H3,(H,12,13) |
| InChI Key | BPEROZOGSOPVNQ-UHFFFAOYSA-N |
| MDL Number | MFCD08691613 |
| Molecular Formula | C9H18N2O2 |
| Molecular Weight | 186.2514 |
| SMILES | CN1CCCN(CCC(O)=O)CC1 |
| Synonyms | 3-(4-methyl-1,4-diazepan-1-yl)propanoic acid,
915923-47-6,
CTK5H0095,
DTXSID20649218,
ALBB-004284,
3105AF,
MFCD08691613,
STK503069,
ZINC23093899,
AKOS005171297,
AJ-81652,
FT-0678988,
Y-4284,
I04-4941,
C9H18N2O2,
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| Complexity | 173 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 186.137g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 186.255g/mol |
| Monoisotopic Mass | 186.137g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -2.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number