AG00EAQO

58816-66-3 | H-4-NITRO-PHE-OET HCL

AG00EAQO

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CAS Number	58816-66-3
Catalog Number	AG00EAQO(AGN-PC-0SQP0R)
Chemical Name	H-4-NITRO-PHE-OET HCL
EC Number	261-455-0
IUPAC Name	ethyl (2S)-2-amino-3-(4-nitrophenyl)propanoate;hydrochloride
InChI	InChI=1S/C11H14N2O4.ClH/c1-2-17-11(14)10(12)7-8-3-5-9(6-4-8)13(15)16;/h3-6,10H,2,7,12H2,1H3;1H/t10-;/m0./s1
InChI Key	HHZUMTWHYNIFOC-PPHPATTJSA-N
MDL Number	MFCD08275409
Molecular Formula	C11H15ClN2O4
Molecular Weight	274.7008
SMILES	N[C@@H](CC1=CC=C([N+]([O-])=O)C=C1)C(OCC)=O.[H]Cl
Synonyms	58816-66-3, 3-(4-nitrophenyl)-L-alanine ethyl ester hydrochloride, h-4-nitro-phe-oet hcl, Ethyl 4-nitro-3-phenyl-L-alaninate monohydrochloride, 3-(4-nitro-phenyl)-l-alanine ethyl ester hcl, H-Phe(4-NO2)-OEt.HCl, 3-(4-nitro-phenyl)-L-alanine ethyl ester hydrochloride, (S)-ethyl 2-amino-3-(4-nitrophenyl)propanoate hydrochloride, ethyl (2S)-2-amino-3-(4-nitrophenyl)propanoate hydrochloride, AK-45901, EINECS 261-455-0, Ethyl 4-nitro-3-phenyl-L-alaninate HCl, h-phe(4-no2)-oet hcl, AC1O57Y8, SCHEMBL1859938, CTK1H4042, KS-00000GCH, DTXSID10207548, HHZUMTWHYNIFOC-PPHPATTJSA-N, CS-M0206, ANW-48413, MFCD08275409, AKOS015920489, AS06694, H-PHE(4-NO2)-OET HYDROCHLORIDE, BR-45901, DS-13671, AX8132508, ST2404785, TC-137158, FT-0773856, W7181, 4-nitrophenylalanine ethyl ester hydrochloride, S-2127, 4-nitro-l-phenylalanine ethyl ester hydrochloride, 4-nitrophenylalanine, ethyl ester, hydrochloride, p-nitro-l-phenylalanine ethyl ester hydrochloride, 4-nitro-(L)-phenylalanine ethyl ester hydrochloride, 4-Nitro-L-Phenylalanine, Ethyl Ester, Hydrochloride, 3-(4-nitro-phenyl)-l-alanine ethyl esterhydrochloride, 4-nitro-(l)-phenylalanine ethyl ester hydrochloride salt, ETHYL (S)-2-AMINO-3-(4-NITROPHENYL)PROPANOIATE, L-Phenylalanine, 4-nitro-, ethyl ester, monohydrochloride, (S)-Ethyl-2-amino-3-(4-nitrophenyl)propionate hydrochloride, ethyl (S)-2-amino-3-(4-nitrophenyl)propionate hydrochloride, (S)-2-AMINO-3-(4-NITRO-PHENYL)-PROPIONIC ACID ETHYL ESTER, (S)-ETHYL 2-AMINO-3-(4-NITROPHENYL)PROPANOATE (HYDROCHLORIDE), C11H15ClN2O4, H-4-NITRO-PHE-OETHCL, C11-H14-N2-O4.Cl-H, CID6453710, (S)-2-Amino-3-(4-nitro-phenyl)-propionic acid ethyl ester hydrochloride,

Complexity	269
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	274.072g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	274.701g/mol
Monoisotopic Mass	274.072g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	98.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number