| CAS Number | 675602-75-2 |
| Catalog Number | AG005MMQ(AGN-PC-0KKO0H) |
| Chemical Name | CBZ-METHYL-(1-PYRROLIDIN-1-YLMETHYL-CYCLOHEXYL)-AMINE |
| IUPAC Name | benzyl N-methyl-N-[1-(pyrrolidin-1-ylmethyl)cyclohexyl]carbamate |
| InChI | InChI=1S/C20H30N2O2/c1-21(19(23)24-16-18-10-4-2-5-11-18)20(12-6-3-7-13-20)17-22-14-8-9-15-22/h2,4-5,10-11H,3,6-9,12-17H2,1H3 |
| InChI Key | HOGPUKJJBGBCIG-UHFFFAOYSA-N |
| MDL Number | MFCD08061249 |
| Molecular Formula | C20H30N2O2 |
| Molecular Weight | 330.4644 |
| SMILES | CN(C(=O)OCC1=CC=CC=C1)C1(CN2CCCC2)CCCCC1 |
| Synonyms | 675602-75-2,
CBZ-METHYL-(1-PYRROLIDIN-1-YLMETHYL-CYCLOHEXYL)-AMINE,
Benzyl methyl(1-(pyrrolidin-1-ylmethyl)cyclohexyl)carbamate,
Benzyl N-methyl-N-[1-(pyrrolidin-1-ylmethyl)cyclohexyl]carbamate,
AC1MC2VN,
CTK5C6330,
1-Pyrrolidin-2-cyclohexyl-2-(N-Cbz-N-Methyl)amino-ethane,
DTXSID80375203,
ZINC4289980,
Methyl-(1-pyrrolidin-1-ylmethyl-cyclohexyl)-carbamic acid benzyl ester,
AKOS025312474,
AB43273,
AS-41154,
AB0079661,
AX8120210,
X-2967,
Cbz-Methyl-(1-pyrrolidin-1-ylmethyl-cyclohexyl) -amine,
benzyl 1-cyclohexyl-2-(pyrrolidin-1-yl)ethyl(methyl)carbamate,
Benzyl methyl{1-[(pyrrolidin-1-yl)methyl]cyclohexyl}carbamate,
CID2760524,
A12804,
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| Complexity | 394 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 330.231g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 330.472g/mol |
| Monoisotopic Mass | 330.231g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 32.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
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Certificate of Analysis
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