AG006XKM

225517-81-7 | (S)-4-N-Cbz-piperazine-2-carboxylic acid methyl ester

AG006XKM

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CAS Number	225517-81-7
Catalog Number	AG006XKM(AGN-PC-0O80XX)
Chemical Name	(S)-4-N-Cbz-piperazine-2-carboxylic acid methyl ester
IUPAC Name	1-O-benzyl 3-O-methyl (3S)-piperazine-1,3-dicarboxylate
InChI	InChI=1S/C14H18N2O4/c1-19-13(17)12-9-16(8-7-15-12)14(18)20-10-11-5-3-2-4-6-11/h2-6,12,15H,7-10H2,1H3/t12-/m0/s1
InChI Key	FYKXWBBQYZXPFB-LBPRGKRZSA-N
MDL Number	MFCD04115338
Molecular Formula	C14H18N2O4
Molecular Weight	278.3037
SMILES	O=C([C@H]1NCCN(C(OCC2=CC=CC=C2)=O)C1)OC
Synonyms	225517-81-7, Methyl (S)-4-N-Cbz-piperazine-2-carboxylate, (S)-4-N-CBZ-PIPERAZINE-2-CARBOXYLIC ACID METHYL ESTER, (s)-1-benzyl 3-methyl piperazine-1,3-dicarboxylate, Q-102947, Q-102954, 1-O-benzyl 3-O-methyl (3S)-piperazine-1,3-dicarboxylate, 1-BENZYL 3-METHYL (3S)-PIPERAZINE-1,3-DICARBOXYLATE, (s)-piperazine-1,3-dicarboxylic acid 1-benzyl ester 3-methyl ester, AK-45146, AC1ODZFS, (S)-4-N-Cbz-Piperazine-2-carboxylic acid methylester, SCHEMBL14646669, CTK4E9717, KS-00000LWV, DTXSID70427487, ANW-47297, MFCD04115338, ZINC21982825, AB19914, CS-W022772, FCH3601541, RTC-064708, ACM225517817, AJ-79135, BR-45146, CJ-17064, DS-13485, SC-49617, AB0023554, AX8005287, ST2419456, TC-064708, FT-0083943, FT-0655221, W4632, S-5481, (S)-4-N-Cbz-Piperazine-2-carboxylic acid methylest, I13-0181, 1-benzyl 3-methyl (S)-piperazine-1,3-dicarboxylate, (S)-4-N-Boc-Piperazine-3-carboxylic acid methyl ester, 1,3-Piperazinedicarboxylicacid, 3-methyl 1-(phenylmethyl) ester, (3S)-, cc-688, C14H18N2O4, ACN-030936, CID7023277, Benzyl Methyl Piperazine-1,3-dicarboxylate, 1,3-Piperazinedicarboxylic acid, 3-methyl 1-(phenylmethyl) ester, (3S)-,

Complexity	342
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	278.127g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	278.308g/mol
Monoisotopic Mass	278.127g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	67.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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