AG00EAD4

5678-47-7 | 3-Amino-3-(3-nitrophenyl)propanoic acid

AG00EAD4

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CAS Number	5678-47-7
Catalog Number	AG00EAD4(AGN-PC-0SMENK)
Chemical Name	3-Amino-3-(3-nitrophenyl)propanoic acid
IUPAC Name	3-amino-3-(3-nitrophenyl)propanoic acid
InChI	InChI=1S/C9H10N2O4/c10-8(5-9(12)13)6-2-1-3-7(4-6)11(14)15/h1-4,8H,5,10H2,(H,12,13)
InChI Key	SJBFILRQMRECCK-UHFFFAOYSA-N
MDL Number	MFCD00472612
Molecular Formula	C9H10N2O4
Molecular Weight	210.1867
NSC Number	40724
SMILES	O=C(O)CC(N)C1=CC=CC([N+]([O-])=O)=C1
Synonyms	3-amino-3-(3-nitrophenyl)propanoic acid, 5678-47-7, 3-(3-nitrophenyl)-dl-beta-alanine, 3-Amino-3-(3-nitro-phenyl)-propionic acid, 3-amino-3-(3-nitrophenyl)propionic acid, SJBFILRQMRECCK-UHFFFAOYSA-N, DL-beta-3-(3-Nitrophenyl)alanine, AK-44766, AK115425, NSC40724, AC1L5YJE, AC1Q1ZVG, CBKinase1_000742, CBKinase1_013142, aminonitrophenylpropanoicacid, Oprea1_738037, SCHEMBL666885, H-L-b-phe(3-NO2)-OH, CTK7J1706, DTXSID80285156, beta-(3-nitrophenyl)-beta-alanine, 3-(3-Nitrophenyl)-DL- -alanine, BCP11603, KS-000020SW, ZERO/001624, CN-491, MFCD00472612, NSC-40724, SBB001796, STK661757, 3-Nitrophenyl-beta-aminopropionic acid, AKOS001735332, AKOS016043235, MCULE-9313755223, RP12227, ST081403, 3-azanyl-3-(3-nitrophenyl)propanoic acid, AX8034116, TR-019895, 4CH-017903, 4CH-024648, EU-0019770, FT-0680667, TL80073860, dl-3-amino-3-(3'-nitrophenyl)propionic acid, dl-3-amino-3-(3-nitro-phenyl)-propionic acid, X-3806, 678A477, 8R-0617, A831177, SR-01000539190, J-511568, SR-01000539190-1, BRD-A00308659-003-01-2, (r)-3-amino-3-(3-nitrophenyl)propionic acid, (s)-3-amino-3-(3-nitrophenyl)propanoic acid, AR-1F1746, CID237320, 3-Amino-3-(3-nitrophenyl)propanoicacid, 787544-61-0, R-3-Amino-3-(3-nitro-phenyl)-propionic acid, S-3-Amino-3-(3-nitro-phenyl)-propionic acid, 734529-57-8, 63549-43-9, N/A,

Complexity	251
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	210.064g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	210.189g/mol
Monoisotopic Mass	210.064g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	109A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	-2.1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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