2-(2-Aminoethylamino)-5-nitropyridine

HCID 122425CAS 29602-39-9

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Basic information

Standard SMILES: NCCNc1ccc([N+](=O)[O-])cn1
InChIKey: ODHSPTHLPCXPTL-UHFFFAOYSA-N
Molecular formula: C7H10N4O2
Average molar mass: 182.18 g/mol
Monoisotopic mass: 182.08037556

Names & identifiers

Preferred name: 2-(2-Aminoethylamino)-5-nitropyridine
IUPAC: N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine
English name: 2-(2-AMINOETHYLAMINO)-5-NITROPYRIDINE
Molecular formula: C7H10N4O2
Molecular weight: 182.18

Names & synonyms

2-(2-Aminoethylamino)-5-nitropyridineRefChem:53741229602-39-9N1-(5-nitropyridin-2-yl)ethane-1,2-diamineN'-(5-nitropyridin-2-yl)ethane-1,2-diamine5-Nitro-2-pyridylaminoethyl-2-amine1,2-Ethanediamine, N1-(5-nitro-2-pyridinyl)-n-(5-nitropyridin-2-yl)ethane-1,2-diamine2-[(2-Aminoethyl)amino]-5-nitropyridine(2-aminoethyl)(5-nitro(2-pyridyl))amineEINECS 249-721-4MFCD00006254

Show more names

TIMTEC-BB SBB000234N-(5-Nitro-2-pyridyl)ethylenediamineN1-(5-Nitropyrid-2-yl)ethane-1,2-diamine2-(2-AMINOETHYLAMINO)-5-NITROPYRIDINE 98%2-(2-AMINOETHYLAMINO)-5-NITROPYRIDINE, 9 8%N-(5-Nitro-2-pyridyl)-1,2-ethanediamine, 99%

1,2-Ethanediamine, N-(5-nitro-2-pyridinyl)-SCHEMBL1146057SCHEMBL6162165SCHEMBL7017026SCHEMBL8539294SCHEMBL30014816DTXSID40183785SBB000234

Database identifiers

CAS: 29602-39-9
PubChem CID: 122425
DTXSID: DTXSID40183785
EC Number: 249-721-4
Nikkaji: J143.878F

Properties

Computed structural properties

XLogP: 0.1
Topological polar surface area: 96.8 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 13
Formal charge: 0
Complexity: 170

Physicochemical properties

Melting point: 126 · 126-128 °C(lit.)
Boiling point: 315.57 °C · 315.57°C (rough estimate)
Density: 1.3129 · 1.3129 (rough estimate)
refractive index: 1.67 · 1.6700 (estimate)
pka: 9 · 9.00±0.10(Predicted)
Sensitive: Air Sensitive
InChI: 1S/C7H10N4O2/c8-3-4-9-7-2-1-6(5-10-7)11(12)13/h1-2,5H,3-4,8H2,(H,9,10)
InChIKey: ODHSPTHLPCXPTL-UHFFFAOYSA-N
SMILES: NCCNc1ccc(cn1)[N+]([O-])=O
CAS DataBase Reference: 29602 · 29602-39-9(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-37/39
WGK Germany: 3 · 3
HazardClass: 8 · 8
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (90.7%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.