2-(2-Aminoethylamino)-5-nitropyridine
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Basic information
- CAS
29602-39-9- 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%
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 propertiesFilling in
- XLogP
- 0.1
- Topological polar surface area
- 96.8 Ų
- 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)
- form
- Powder
- color
- Yellow
- 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)
- Comptox DTXSID
- 40183785 · DTXSID40183785
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (90.7%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 2933399090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- hazard_class
- 8
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses2-(2-Aminoethylamino)-5-nitropyridine is used in matrix preparation for the quantification of phospholipids (PLs) by MALDI-TOFMS.
Related reactions
29 records
Compound notes
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