4-Nitrophenethylamine

HCID 95153CAS 24954-67-4
Substructure searchFind similar structures

Basic information

Standard SMILES
NCCc1ccc([N+](=O)[O-])cc1
InChIKey
IOXOZOPLBFXYLM-UHFFFAOYSA-N
Molecular formula
C8H10N2O2
Average molar mass
166.18 g/mol
Monoisotopic mass
166.07422756

Names & identifiers

Preferred name
4-Nitrophenethylamine
IUPAC
2-(4-nitrophenyl)ethanamine
English name
4-Nitro-phenethylamine
Molecular formula
C8H10N2O2
Molecular weight
166.18

Names & synonyms

24954-67-44-Nitrophenethylaminepara-NitrophenylethylamineSAS3H3GQM9NSC-21218RefChem:5259652-(4-nitrophenyl)ethanamine4-NITRO-PHENETHYLAMINEBenzeneethanamine, 4-nitro-2-(4-nitrophenyl)ethan-1-amine2-(4-nitrophenyl)ethylamineMFCD03095044
Show more names
Nsc21218AURORA KA-7784Xylose Impurity 16TIMTEC-BB SBB005875RARECHEM AL BW 0105Mirabegron EP Impurity E4-Nitrobenzeneethanamine
p-nitrophenylethylamineCHEMBL5023434-nitrophenylethylamineNSC 21218UNII-SAS3H3GQM9p-NITROPHENETHYLAMINEOprea1_732028SCHEMBL335044

Database identifiers

CAS
24954-67-4、29968-78-3
PubChem CID
95153
DTXSID
DTXSID70902562
ChEMBL
CHEMBL502343
UNII
SAS3H3GQM9
Nikkaji
J365.270J

Properties

Computed structural properties

XLogP
1.2
Topological polar surface area
71.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
12

Physicochemical properties

Melting point
27 °C · 27 °C
Boiling point
162 °C · 162 °C(Press: 14 Torr)
Density
1.206 · 1.206±0.06 g/cm3(Predicted)
storage temp.
2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka
9.22 · 9.22±0.10(Predicted)
FDA UNII
3 H3GQM9 · SAS3H3GQM9

Safety & regulation

Safety data

hs_code
2921490090
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P261-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Downstream products

Suppliers50 total

韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
上海策嵘生物科技有限公司[email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]

Related reactions

54 records
New reaction record

Linked notes

Loading…