AG0004Z2

1016167-99-9 | Carbamic acid, N-[(3S)-3-piperidinylmethyl]-, 1,1-dimethylethyl ester

AG0004Z2

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CAS Number	1016167-99-9
Catalog Number	AG0004Z2(AGN-PC-0WAFPH)
Chemical Name	Carbamic acid, N-[(3S)-3-piperidinylmethyl]-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl N-[[(3S)-piperidin-3-yl]methyl]carbamate
InChI	InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-8-9-5-4-6-12-7-9/h9,12H,4-8H2,1-3H3,(H,13,14)/t9-/m0/s1
InChI Key	KHPQHXGYYXYTDN-VIFPVBQESA-N
MDL Number	MFCD03093385
Molecular Formula	C11H22N2O2
Molecular Weight	214.3046
SMILES	C(C)(C)(C)OC(NC[C@@H]1CNCCC1)=O
Synonyms	1016167-99-9, (S)-tert-butyl (piperidin-3-ylmethyl)carbamate, (S)-3-N-BOC-AMINOMETHYLPIPERIDINE, tert-butyl N-[(3S)-piperidin-3-ylmethyl]carbamate, tert-butyl N-[[(3S)-piperidin-3-yl]methyl]carbamate, (S)-1-piperidin-3-ylmethylcarbamic acid tert-butyl ester, (S)-PIPERIDIN-3-YLMETHYL-CARBAMIC ACID TERT-BUTYL ESTER, CARBAMIC ACID, N-[(3S)-3-PIPERIDINYLMETHYL]-, 1,1-DIMETHYLETHYL ESTER, tert-butyl N-{[(3S)-piperidin-3-yl]methyl}carbamate, AK110664, (S)-3-N-(Boc-aminomethyl)piperidine, AC1LT3M3, SCHEMBL2521258, CTK7G9065, KHPQHXGYYXYTDN-VIFPVBQESA-N, ZINC4202260, MFCD03093385, (S)-3-(Boc-aMinoMethyl)-piperidine, AKOS007930539, CB-1478, CS-W006519, FCH1620496, PB24779, KS-0000034D, AJ-48337, AB0183332, AX8227586, FT-0083857, FT-0687348, B-1344, (S)-Piperidin-3-ylmethyl-carbamicacid tert-butyl ester, (S)-1-piperidin-3-ylmethyl-carbamic acid tert-butyl ester, 3-N-Boc-aminomethylpiperidine, (s)-n-boc-3-aminomethylpiperidine, CID1501847, LS-1026, tert-Butyl N-(3-piperidylmethyl)carbamate, (S)-tert-butyl(piperidin-3-ylmethyl)carbamate, (s)-tert-butyl ((piperidin-3-yl)methyl)carbamate, tert-butyl N-[(3R)-piperidin-3-ylmethyl]carbamate, 140645-24-5, 879275-33-9,

Complexity	211
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
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	4
Topological Polar Surface Area	50.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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