AG00HEPN

1187055-56-6 | tert-Butyl ((3R,5S)-rel-5-methylpiperidin-3-yl)carbamate

AG00HEPN

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CAS Number	1187055-56-6
Catalog Number	AG00HEPN(AGN-PC-0WCL4H)
Chemical Name	tert-Butyl ((3R,5S)-rel-5-methylpiperidin-3-yl)carbamate
IUPAC Name	tert-butyl N-[(3R,5S)-5-methylpiperidin-3-yl]carbamate
InChI	InChI=1S/C11H22N2O2/c1-8-5-9(7-12-6-8)13-10(14)15-11(2,3)4/h8-9,12H,5-7H2,1-4H3,(H,13,14)/t8-,9+/m0/s1
InChI Key	CNALVHVMBXLLIY-DTWKUNHWSA-N
MDL Number	MFCD28501235
Molecular Formula	C11H22N2O2
Molecular Weight	214.3046
SMILES	O=C(OC(C)(C)C)N[C@H]1CNC[C@@H](C)C1
Synonyms	1270019-92-5, tert-butyl N-[(3R,5S)-5-methylpiperidin-3-yl]carbamate, tert-Butyl ((3R,5S)-rel-5-methylpiperidin-3-yl)carbamate, 1187055-56-6, cis-3-(boc-amino)-5-methylpiperidine, tert-butyl ((3R,5S)-5-methylpiperidin-3-yl)carbamate, SCHEMBL2836590, CNALVHVMBXLLIY-DTWKUNHWSA-N, KS-000004NZ, MFCD18071731, MFCD28501235, ZINC84237602, AKOS025396104, FCH3604341, FCH3991422, SB11467, KS-000004E4, AK173669, AS-52281, CS-0058552, tert-Butyl (3R,5S)-5-methylpiperidin-3-ylcarbamate, tert-butyl((3R,5S)-5-methylpiperidin-3-yl)carbamate, t-Butyl N-[(3R,5S)-5-methylpiperidin-3-yl]carbamate, Carbamic acid, N-[(3R,5S)-5-methyl-3-piperidinyl]-, 1,1-dimethylethyl ester,

Complexity	223
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	214.168g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	214.309g/mol
Monoisotopic Mass	214.168g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	50.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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