N,N-dimethyl-5-nitropyridin-2-amine

HCID 75707

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Basic information

CAS: 2554-75-8
Standard SMILES: CN(C)c1ccc([N+](=O)[O-])cn1
InChIKey: UCAOGXRUJFKQAP-UHFFFAOYSA-N
Molecular formula: C7H9N3O2
Average molar mass: 167.17 g/mol
Monoisotopic mass: 167.06947653

Names & identifiers

Preferred name: N,N-dimethyl-5-nitropyridin-2-amine
IUPAC: N,N-dimethyl-5-nitropyridin-2-amine
English name: N,N-dimethyl-5-nitropyridin-2-amine
Molecular formula: C7H9N3O2
Molecular weight: 167.17

Names & synonyms

N,N-Dimethyl-5-nitropyridin-2-amineEINECS 219-864-7DTXSID40180234NSC 93901RefChem:822508DTXCID50102725219-864-72554-75-82-(Dimethylamino)-5-nitropyridineMFCD000234502-Pyridinamine, N,N-dimethyl-5-nitro-Q6G58JQT6X

Show more names

2-Dimethylamino-5-nitropyridineNSC93901NSC-93901N,N-Dimethyl-5-nitro-2-pyridinamine2-Dimethylamino-5-nitro pyridineUNII-Q6G58JQT6XSCHEMBL933269SCHEMBL13981901

Database identifiers

CAS: 2554-75-8
PubChem CID: 75707
DTXSID: DTXSID40180234
UNII: Q6G58JQT6X
EC Number: 219-864-7
Nikkaji: J192.052I

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 62 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 167

Physicochemical properties

Melting point: 154 · 154-155 °C
Boiling point: 297.4 · 297.4±25.0 °C(Predicted)
Density: 1.261 · 1.261±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 3 · 3+-.0.10(Predicted)
Appearance: White to yellow Solid
InChI: InChI=1S/C7H9N3O2/c1-9(2)7-4-3-6(5-8-7)10(11)12/h3-5H,1-2H3
InChIKey: UCAOGXRUJFKQAP-UHFFFAOYSA-N
SMILES: C1(N(C)C)=NC=C([N+]([O-])=O)C=C1
FDA UNII: 6 G58JQT6X · Q6G58JQT6X
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
HS Code: 2933399990 · 2933399990

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.