| CAS Number | 904817-67-0 |
| Catalog Number | AG006D0G(AGN-PC-0156JG) |
| Chemical Name | tert-Butyl n-[1-(aminomethyl)cycloheptyl]carbamate |
| IUPAC Name | tert-butyl N-[1-(aminomethyl)cycloheptyl]carbamate |
| InChI | InChI=1S/C13H26N2O2/c1-12(2,3)17-11(16)15-13(10-14)8-6-4-5-7-9-13/h4-10,14H2,1-3H3,(H,15,16) |
| InChI Key | RSFBSPVFWOQBJQ-UHFFFAOYSA-N |
| MDL Number | MFCD07371402 |
| Molecular Formula | C13H26N2O2 |
| Molecular Weight | 242.3577 |
| SMILES | CC(OC(NC1(CCCCCC1)CN)=O)(C)C |
| Synonyms | 904817-67-0,
tert-butyl N-[1-(aminomethyl)cycloheptyl]carbamate,
(1-Aminomethyl-cycloheptyl)-carbamic acid tert-butyl ester,
tert-butyl 1-(aminomethyl)cycloheptylcarbamate,
tert-Butyl (1-(aminomethyl)cycloheptyl)carbamate,
tert-Butyl [1-(aminomethyl)cycloheptyl]carbamate,
AC1Q1N99,
CTK5G7991,
DTXSID00587725,
KS-00001P0N,
ZINC6745077,
MFCD07371402,
AKOS005257133,
GL-0563,
MCULE-7633165784,
NE39952,
EN300-31523,
Z335451372,
tert-butyl N-[1-(aminomethyl)cycloheptyl]carbamate, AldrichCPR,
|
| Complexity | 251 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.199g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.363g/mol |
| Monoisotopic Mass | 242.199g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 64.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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