AG005QRY

716-61-0 | (1R,2R)-2-Amino-1-(4-nitrophenyl)propane-1,3-diol

AG005QRY

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CAS Number	716-61-0
Catalog Number	AG005QRY(AGN-PC-0OH0HW)
Chemical Name	(1R,2R)-2-Amino-1-(4-nitrophenyl)propane-1,3-diol
EC Number	211-938-7
IUPAC Name	(1R,2R)-2-amino-1-(4-nitrophenyl)propane-1,3-diol
InChI	InChI=1S/C9H12N2O4/c10-8(5-12)9(13)6-1-3-7(4-2-6)11(14)15/h1-4,8-9,12-13H,5,10H2/t8-,9-/m1/s1
InChI Key	OCYJXSUPZMNXEN-RKDXNWHRSA-N
MDL Number	MFCD00078126
Molecular Formula	C9H12N2O4
Molecular Weight	212.2026
SMILES	[H][C@@](N)(CO)[C@]([H])(O)C1=CC=C(C=C1)N(=O)=O
Synonyms	1-(4'-nitrophenyl)-2-aminopropane-1,3-diol, 1-(4'-nitrophenyl)-2-aminopropane-1,3-diol mono-hydrochloride, (S-(R*,R*))-isomer, 1-(4'-nitrophenyl)-2-aminopropane-1,3-diol, (R*,R*)-(+-)-isomer, 1-(4'-nitrophenyl)-2-aminopropane-1,3-diol, (R*,S*)-(+-)-isomer, 1-(4'-nitrophenyl)-2-aminopropane-1,3-diol, (R-(R*,R*))-isomer, 1-(4'-nitrophenyl)-2-aminopropane-1,3-diol, (R-(R*,S*))-isomer, 1-(4'-nitrophenyl)-2-aminopropane-1,3-diol, (S)-hydroxybutanedioate (2:1) (S-(R*,R*))-isomer, 1-(4'-nitrophenyl)-2-aminopropane-1,3-diol, (S-(R*,R*))-isomer, 1-(4'-nitrophenyl)-2-aminopropane-1,3-diol, L-(+)-tartrate(S-(R*,R*))-isomer, 1-(4'-nitrophenyl)-2-aminopropane-1,3-diol, mono-HCl(R*,R*)-(+-)-isomer, 1-(4'-nitrophenyl)-2-aminopropane-1,3-diol, mono-hydrochloride, (1R,2R)-isomer, 1-(4'-nitrophenyl)-2-aminopropane-1,3-diol, mono-L-(+)-tartrate(R-(R*,R*))-isomer, 1-(4'-nitrophenyl)-2-aminopropane-1,3-diol, mononitrate, 1-(4'-nitrophenyl)-2-aminopropane-1,3-diol, sulfate(S-(R*,R*))-isomer, 1-(4-nitrophenyl)-1,3-dihydroxypropylamine, 2-amino-1-nitrophenylpropane-1,3-diol, chloramphenicol base, para-nitrophenylserinal, 716-61-0, (1R,2R)-2-amino-1-(4-nitrophenyl)propane-1,3-diol, Chloramphenicol base, (1R,2R)-(-)-2-Amino-1-(4-nitrophenyl)-1,3-propanediol, Levoamine, D-(-)-threo-2-Amino-1-(4-nitrophenyl)-1,3-propanediol, EINECS 211-938-7, D-threo-(-)-2-Amino-1-(p-nitrophenyl)-1,3-propanediol, (1r,2r)-2-amino-1-(4-nitrophenyl)-1,3-propanediol, D-(-)Threo-2-amino-1-(p-nitrophenyl)propane-1,3-diol, 1,3-Propanediol, 2-amino-1-(4-nitrophenyl)-, (1R,2R)-, 1,3-Propanediol, 2-amino-1-(p-nitrophenyl)-, D-threo-(-)-, (R,R)-2-amino-1-(4-nitrophenyl)propane-1,3-diol, D-(-)-threo-2-Amino-1-(p-nitrophenyl)-1,3-propanediol, (1R,2R)-2-Amino-1-(4-nitrophenyl)propane-1,3-diol, 96%, (1R,2R)-(-)-2-Amino-1-nitrophenyl)-1,3-propanediol, AK-73036, MFCD00078126, (1r,2r)-2-amino-1-(4-nitrophenyl)propan-1,3-diol, AC1L2CKH, AC1Q1Z0Z, AC1Q4UB1, KSC498E5D, SCHEMBL725933, SCHEMBL14749831, CHEBI:78660, CTK3J8251, ZINC35765, DTXSID80221832, OCYJXSUPZMNXEN-RKDXNWHRSA-N, ALBB-015887, ANW-43776, AKOS005067262, AKOS015853754, AKOS025395675, CS-W009213, MCULE-3507418822, RTR-033441, AC-11827, AJ-08625, AN-47393, AS-18733, BP-12581, BR-73036, SC-08960, AB0028949, AX8006908, DB-017895, LS-120138, ST2407837, TL8005023, TR-033441, FT-0082461, FT-0600616, X1069, M-2072, W-104512, (1R,2R)-1-(4-nitrophenyl)-2-amino-1,3-propanediol, (1R,2R)-1-(4-Nitrophenyl)-2-aminopropane-1,3-diol, D-(-)-Threo-1-(4-nitrophenyl)-2-amino-1,3-propaned, (D)-(-)-threo-2-Amino-1-(4-nitrophenyl)-1,3-propanediol, (1R,2R)-(-)-2-Amino-1-(4-nitrophenyl)-1,3-propanediol, 99%, 1,3-propanediol, 2-amino-1-(4-nitrophenyl)-, (1R,2R)-, hydrochloride, C9H12N2O4, KST-1A8026, CID69745, EINECS 222-997-3, AR-1A1054, C9-H12-N2-O4, A1017, D- -THREO-2-AMINO-1- -1,3-PROPANEDIOL, (R*,R*)-(1)-2-Amino-1-(p-nitrophenyl)propane-1,3-diol, (R*,R*)-(+-)-2-amino-1-(p-nitrophenyl)propane-1,3-diol, 1,3-Propanediol, 2-amino-1-(4-nitrophenyl)-, [R-(R*,R*)]-, 3689-55-2, 7441-36-3, (1R,2R)-(-)-2-Amino-1-(4-nitrophenyl)-1,3-propanediol, 96% - 25G 25g,

Complexity	211
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	212.08g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	212.205g/mol
Monoisotopic Mass	212.08g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	112A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 3259

Certificate of Analysis

Lot Number