| CAS Number | 1005738-45-3 |
| Catalog Number | AG0002CX(AGN-PC-0WBRH3) |
| Chemical Name | 1,4,4-Piperidinetricarboxylic acid, 1-(1,1-dimethylethyl) 4-methyl ester |
| IUPAC Name | 4-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid |
| InChI | InChI=1S/C13H21NO6/c1-12(2,3)20-11(18)14-7-5-13(6-8-14,9(15)16)10(17)19-4/h5-8H2,1-4H3,(H,15,16) |
| InChI Key | MFPPLBPVSINTPM-UHFFFAOYSA-N |
| MDL Number | MFCD20923522 |
| Molecular Formula | C13H21NO6 |
| Molecular Weight | 287.3089 |
| SMILES | O=C(C1(C(OC)=O)CCN(C(OC(C)(C)C)=O)CC1)O |
| Synonyms | 1005738-45-3,
1-(tert-butoxycarbonyl)-4-(methoxycarbonyl)piperidine-4-carboxylic acid,
1-[(tert-butoxy)carbonyl]-4-(methoxycarbonyl)piperidine-4-carboxylic acid,
1-Boc-4-(methoxycarbonyl)piperidine-4-carboxylic acid,
Piperidine-1,4,4-tricarboxylic acid 1-tert-butyl ester 4-methyl ester,
SCHEMBL4295757,
MFPPLBPVSINTPM-UHFFFAOYSA-N,
KS-000007LS,
MFCD20923522,
ZINC96035847,
AKOS025290359,
SB20846,
AK172583,
AS-34740,
AB0198674,
CS-0052690,
W-1210,
1-tert-Butoxycarbonyl-4-methoxycarbonyl-piperidine-4-carboxylic acid,
4-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid,
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| Complexity | 404 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 287.137g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 287.312g/mol |
| Monoisotopic Mass | 287.137g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 93.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 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-P280-P301+P312-P302+P352-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number