| CAS Number | 1447606-52-1 |
| Catalog Number | AG00HX79(AGN-PC-0WCYOG) |
| Chemical Name | 1-Boc-4-(cbz-amino)-4-(2-methoxy-2-oxoethyl)piperidine |
| IUPAC Name | tert-butyl 4-(2-methoxy-2-oxoethyl)-4-(phenylmethoxycarbonylamino)piperidine-1-carboxylate |
| InChI | InChI=1S/C21H30N2O6/c1-20(2,3)29-19(26)23-12-10-21(11-13-23,14-17(24)27-4)22-18(25)28-15-16-8-6-5-7-9-16/h5-9H,10-15H2,1-4H3,(H,22,25) |
| InChI Key | GGOCIPBIGXMLFK-UHFFFAOYSA-N |
| MDL Number | MFCD25541919 |
| Molecular Formula | C21H30N2O6 |
| Molecular Weight | 406.4727 |
| SMILES | O=C(OC)CC1(NC(OCC2=CC=CC=C2)=O)CCN(C(OC(C)(C)C)=O)CC1 |
| Synonyms | 1447606-52-1,
tert-Butyl 4-(((benzyloxy)carbonyl)amino)-4-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate,
X-2229,
tert-butyl 4-(2-methoxy-2-oxoethyl)-4-(phenylmethoxycarbonylamino)piperidine-1-carboxylate,
1-BOC-4-(CBZ-AMINO)-4-(2-METHOXY-2-OXOETHYL)PIPERIDINE,
KS-00000LB4,
MFCD25541919,
ZINC95802954,
AKOS027329980,
AK330097,
DS-12277,
AX8266890,
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| Complexity | 572 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 406.21g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 406.479g/mol |
| Monoisotopic Mass | 406.21g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 94.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number