AG006Q87

65632-62-4 | (S)-1-((Benzyloxy)carbonyl)hexahydropyridazine-3-carboxylic acid

AG006Q87

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CAS Number	65632-62-4
Catalog Number	AG006Q87(AGN-PC-0THIS5)
Chemical Name	(S)-1-((Benzyloxy)carbonyl)hexahydropyridazine-3-carboxylic acid
IUPAC Name	(3S)-1-phenylmethoxycarbonyldiazinane-3-carboxylic acid
InChI	InChI=1S/C13H16N2O4/c16-12(17)11-7-4-8-15(14-11)13(18)19-9-10-5-2-1-3-6-10/h1-3,5-6,11,14H,4,7-9H2,(H,16,17)/t11-/m0/s1
InChI Key	ZYBMAAOZXXKYTG-NSHDSACASA-N
MDL Number	MFCD09751404
Molecular Formula	C13H16N2O4
Molecular Weight	264.2771
SMILES	O=C([C@@H]1CCCN(C(OCC2=CC=CC=C2)=O)N1)O
Synonyms	65632-62-4, (S)-1-(Benzyloxycarbonyl)hexahydropyridazine-3-carboxylic acid, (S)-1-((Benzyloxy)carbonyl)hexahydropyridazine-3-carboxylic acid, (S)-1-Cbz-hexahydropyridazine-3-carboxylic acid, (3S)-1-[(benzyloxy)carbonyl]-1,2-diazinane-3-carboxylic acid, J-502353, (S)-1-(benzyloxycarbonyl)piperazine-3-carboxylic acid, AK-28563, PubChem18096, SCHEMBL7279642, CTK5C2946, KS-00000JLJ, DTXSID70456297, ANW-52361, MFCD09751404, SC3901, ZINC21302818, AKOS015839353, AKOS015902114, AC-4300, CS-W009071, DS-0658, FCH3665893, RP29408, AJ-78404, BR-28563, CC-01301, AB0026092, AX8022048, DB-003834, ST2408240, TL8006586, TR-022306, FT-0649336, W7685, S-7183, 632B624, C-35188, I14-13763, (3S)-1-benzyloxycarbonylhexahydropyridazine-3-carboxylic acid, Hexahydropyridazine-1,3alpha-dicarboxylic acid 1-benzyl ester, (3S)-1-[(Benzyloxy)carbonyl]hexahydropyridazine-3-carboxylic acid, 1,3(2H)-Pyridazinedicarboxylic acid, tetrahydro-, 1-(phenylmethyl) ester, (S)-, 1,3(2H)-Pyridazinedicarboxylicacid, tetrahydro-, 1-(phenylmethyl) ester, (3S)-, ZYBMAAOZXXKYTG-NSHDSACASA-N, C13H16N2O4, CID11129166, -1- hexahydropyridazine-3-carboxylicacid, 1-phenylmethoxycarbonyldiazinane-3-carboxylic Acid, (S)-1-(Benzyloxycarbonyl)hexahydropyridazine-3-carboxylicacid,

Complexity	329
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	264.111g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	264.281g/mol
Monoisotopic Mass	264.111g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	78.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.8

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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