Butyl(2-hydroxyethyl)nitrosamine

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Basic information

CAS: 51938-14-8
Standard SMILES: CCCCN(CCO)N=O
InChIKey: BQGYHQOWXOZWOJ-UHFFFAOYSA-N
Molecular formula: C6H14N2O2
Average molar mass: 146.19 g/mol
Monoisotopic mass: 146.10552769

Overview

structure

Names & identifiers

Preferred name: Butyl(2-hydroxyethyl)nitrosamine
IUPAC: N-butyl-N-(2-hydroxyethyl)nitrous amide
English name: butyl(2-hydroxyethyl)nitrosamine
Molecular formula: C6H14N2O2
Molecular weight: 146.19

Names & synonyms

N-Butyl-N-(2-hydroxyethyl)nitrosamine51938-14-8Butyl(2-hydroxyethyl)nitrosamineRefChem:1222972-[butyl(nitroso)amino]ethanol2-(Butylnitrosoamino)ethanol5314-69-2BHEN2-(Butylnitrosamino)ethanolCCRIS 837Butyl(2-hydroxyethyl)nitrosoamineBRN 2324446

Show more names

ButylethanolnitrosamineETHANOL,2-(BUTYLNITROSAMINO)-

N-butyl-N-(2-hydroxyethyl)nitrous amideEthanol, 2-(butylnitrosamino)-Ethanol, 2-(butylnitrosoamino)-93YT6CZE75CHEMBL164396SCHEMBL4732004DTXSID70966260Butyl-N-(2-hydroxyethyl)nitrosamine, N-

Database identifiers

CAS: 51938-14-8
PubChem CID: 91646
DTXSID: DTXSID70966260
ChEMBL: CHEMBL164396
UNII: 93YT6CZE75
Nikkaji: J3.192E

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 52.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 10
Formal charge: 0
Complexity: 87.8

Physicochemical properties

Boiling point: 265.81 °C · 265.81°C (rough estimate)
Density: 1.136 · 1.1360 (rough estimate)
refractive index: 1.465 · 1.4650 (estimate)

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Compound notes

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