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  • 1,2-Piperidinedicarboxylicacid, 4-hydroxy-, 1-(1,1-dimethylethyl) 2-methyl ester, (2S,4R)
Name:1,2-Piperidinedicarboxylicacid, 4-hydroxy-, 1-(1,1-dimethylethyl) 2-methyl ester, (2S,4R)
CAS No:254882-06-9

PRODUCT DESCRIPTION

【Name】
1,2-Piperidinedicarboxylicacid, 4-hydroxy-, 1-(1,1-dimethylethyl) 2-methyl ester, (2S,4R)-
【CAS Registry number】
254882-06-9
【Synonyms】
(2S,4R)-N-BOC-4-HYDROXYPIPERIDINE-2-CARBOXYLIC ACID METHYL ESTER, 98% E.E., 95
Methyl (2S,4R)-N-BOC-4-hydroxypiperidine-2-carboxylate
(2S,4R)-N-boc-4-Hydroxypiperidine-2-carboxylicacidmethylester(e.e.)
(2S,4R)-N-BOC-4-HYDROXYPIPERIDINE-2-CARBO-XYLIC ACID METHYL ESTER 95% (98% E.E.)
【Molecular Formula】
C12H21 N O5 (Products with the same molecular formula)
【Molecular Weight】
259.29884
【Inchi】
InChI=1/C12H21NO5/c1-12(2,3)18-11(16)13-6-5-8(14)7-9(13)10(15)17-4/h8-9,14H,5-7H2,1-4H3
【Canonical SMILES】
CC(C)(C)OC(=O)N1CCC(CC1C(=O)OC)O
【Isomers smiles】
CC(C)(C)OC(=O)N1CC[C@H](C[C@H]1C(=O)OC)O
【MOL File】
254882-06-9.mol

Chemical and Physical Properties

【Density】
1.182g/cm3
【Boiling Point】
352.1°Cat760mmHg
【Vapour】
0mmHg at 25°C
【Refractive Index】
1.495
【Flash Point】
166.8°C
【Computed Properties】
Molecular Weight:259.29884 [g/mol]
Molecular Formula:C12H21NO5
XLogP3-AA:0.9
H-Bond Donor:1
H-Bond Acceptor:5
Rotatable Bond Count:4
Exact Mass:259.141973
MonoIsotopic Mass:259.141973
Topological Polar Surface Area:76.1
Heavy Atom Count:18
Formal Charge:0
Complexity:323
Isotope Atom Count:0
Defined Atom Stereocenter Count:2
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:3
Feature 3D Donor Count:1
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:1
Effective Rotor Count:6.2
Conformer Sampling RMSD:0.8
CID Conformer Count:26

Safety and Handling

【Safety Statements 】
S24/25

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