N',N'-diethyl-N-(4-nitrophenyl)ethane-1,2-diamine

HCID 230752

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Basic information

CAS: 5464-09-5
Standard SMILES: CCN(CC)CCNc1ccc([N+](=O)[O-])cc1
InChIKey: NTSZVWZCBXPHKQ-UHFFFAOYSA-N
Molecular formula: C12H19N3O2
Average molar mass: 237.3 g/mol
Monoisotopic mass: 237.14772686

Names & identifiers

Preferred name: N',N'-diethyl-N-(4-nitrophenyl)ethane-1,2-diamine
IUPAC: N',N'-diethyl-N-(4-nitrophenyl)ethane-1,2-diamine
English name: n,n-Diethyl-n'-(4-nitrophenyl)ethane-1,2-diamine
Molecular formula: C12H19N3O2
Molecular weight: 237.3

Names & synonyms

5464-09-5NSC26016SCHEMBL7169274DTXSID50969911NSC-26016AKOS008922524N(1),N(1)-diethyl-N(2)-(4-nitrophenyl)-1,2-ethanediamineN~1~,N~1~-Diethyl-N~2~-(4-nitrophenyl)ethane-1,2-diaminen,n-Diethyl-n'-(4-nitrophenyl)ethane-1,2-diamine1,2-Ethanediamine, N1,N1-diethyl-N2-(4-nitrophenyl)-

Database identifiers

CAS: 5464-09-5
PubChem CID: 230752
DTXSID: DTXSID50969911
Nikkaji: J3.189.094B

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 61.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 6
Heavy atoms: 17
Formal charge: 0
Complexity: 218

Physicochemical properties

Boiling point: 377.9 · 377.9±27.0 °C(Predicted)
Density: 1.127 · 1.127±0.06 g/cm3(Predicted)
pka: 9.94 · 9.94±0.25(Predicted)

Chemistry & industry

Suppliers1 total

西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]

Related reactions

1 records

New reaction record

HRID 1559849As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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