AG008TPM

1210348-34-7 | EthanediaMide iMpurity A

AG008TPM

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CAS Number	1210348-34-7
Catalog Number	AG008TPM(AGN-PC-0WAM8N)
Chemical Name	EthanediaMide iMpurity A
IUPAC Name	tert-butyl N-[(1R,2S,5S)-2-amino-5-(dimethylcarbamoyl)cyclohexyl]carbamate;oxalic acid
InChI	InChI=1S/C14H27N3O3.C2H2O4/c1-14(2,3)20-13(19)16-11-8-9(6-7-10(11)15)12(18)17(4)5;3-1(4)2(5)6/h9-11H,6-8,15H2,1-5H3,(H,16,19);(H,3,4)(H,5,6)/t9-,10-,11+;/m0./s1
InChI Key	IERZZGXDUZIMSC-PBDVDRNWSA-N
MDL Number	MFCD28501698
Molecular Formula	C16H29N3O7
Molecular Weight	375.4174
SMILES	O=C(OC(C)(C)C)N[C@H]1[C@@H](N)CC[C@H](C(N(C)C)=O)C1.O=C(O)C(O)=O
Synonyms	1210348-34-7, tert-Butyl ((1R,2S,5S)-2-amino-5-(dimethylcarbamoyl)cyclohexyl)carbamate oxalate, tert-butyl N-[(1R,2S,5S)-2-amino-5-(dimethylcarbamoyl)cyclohexyl]carbamate oxalate, tert-Butyl [(1R,2S,5S)-2-amino-5-[(dimethylamino)carbonyl]cyclohexyl]carbamate oxalate, tert-butyl {(1R,2S,5S)-2-amino-5-[(dimethylamino)carbonyl]cyclohexyl}carbamate oxalate, IERZZGXDUZIMSC-PBDVDRNWSA-N, EthanediaMide iMpurity A, tert-butyl N-[(1R,2S,5S)-2-amino-5-(dimethylcarbamoyl)cyclohexyl]carbamate;oxalic acid, CS-M3400, KS-000005OY, MFCD28501698, AKOS025289771, ACN-037643, DS-7605, EBD3313800, SB13384, tert-Butyl[(1R,2S,5S)-2-amino-5-[(dimethylamino)carbonyl]cyclohexyl]carbamate oxalate, t-butyl {(1r,2s,5s)-2-amino-5-[(dimethylamino)carbonyl]cyclohexyl}carbamate oxalate, tert-Butyl(1R,2S,5S)-2-amino-5-[(dimethylamino)carbonyl]cyclohexylcarbamate oxalate, tert - Butyl [(1R,2S,5S) - 2 - amino - 5 - [(dimethylamino)carbonyl]cyclohexyl]carbamate oxalate, EthanediaMide iMpurity A, tert-Butyl(1R,2S,5S)-2-azido-5-[(dimethylamino)carbonyl]cyclohexylcarbamate oxalic acid,

Complexity	435
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Exact Mass	375.201g/mol
Formal Charge	0
Heavy Atom Count	26
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	375.422g/mol
Monoisotopic Mass	375.201g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	159A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

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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