3-Amino-3-(3-nitrophenyl)propanoic acid

HCID 237320
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Basic information

CAS
5678-47-7
Standard SMILES
NC(CC(=O)O)c1cccc([N+](=O)[O-])c1
InChIKey
SJBFILRQMRECCK-UHFFFAOYSA-N
Molecular formula
C9H10N2O4
Average molar mass
210.19 g/mol
Monoisotopic mass
210.0640568

Names & identifiers

Preferred name
3-Amino-3-(3-nitrophenyl)propanoic acid
IUPAC
3-amino-3-(3-nitrophenyl)propanoic acid
English name
3-Amino-3-(3-nitrophenyl)propanoic acid
Molecular formula
C9H10N2O4
Molecular weight
210.19

Names & synonyms

3-amino-3-(3-nitrophenyl)propanoic acid5678-47-73-(3-nitrophenyl)-dl-beta-alanine3-Amino-3-(3-nitrophenyl)propanoicacidMFCD004726123-Amino-3-(3-nitro-phenyl)-propionic acid3-amino-3-(3-nitrophenyl)propionic acidNSC40724R-3-Amino-3-(3-nitro-phenyl)-propionic acidS-3-Amino-3-(3-nitro-phenyl)-propionic acidCBKinase1_000742CBKinase1_013142
Show more names
RARECHEM AK HC P253Benzenepropanoic acid, β-amino-3-nitro-3-azanyl-3-(3-nitrophenyl)propanoic acid(R)-1-([1,1'-biphenyl]-3-yl)propan-1-amineDL-3-Amino-3-(3-nitrophenyl)propanoic acidDL-3-AMINO-3-(3'-NITROPHENYL)PROPIONIC ACID
dl-3-amino-3-(3-nitro-phenyl)-propionic acidOprea1_738037SCHEMBL666885H-L-b-phe(3-NO2)-OHSCHEMBL16293830DTXSID80285156beta-(3-nitrophenyl)-beta-alanine3-(3-Nitrophenyl)-DL- -alanine

Database identifiers

CAS
5678-47-7
PubChem CID
237320
DTXSID
DTXSID80285156
EC Number
189-608-6

Properties

Computed structural properties

XLogP
-2.1
Topological polar surface area
109 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
15

Physicochemical properties

Melting point
213 · 213-215°C
Boiling point
384.5 · 384.5±37.0 °C(Predicted)
Density
1.404 · 1.404±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C
pka
3.52 · 3.52±0.10(Predicted)
Appearance
White to off-white Solid

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
hazard_class
IRRITANT
Hazard statements
H315-H319-H335
Precautionary statements
P261-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Suppliers30 total

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]

Related reactions

11 records
New reaction record

Compound notes

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