Methylbutylnitrosamine

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Systematic / IUPAC Name: N-Methyl-N-nitroso-1-butanamine

ID: Reference9915

Other Names: NMBA;
MBNA;
1-Butanamine, N-methyl-N-nitroso-;
Butanamine, N-methyl-N-nitroso-;
Butylamine, N-methyl-N-nitroso- ; more

Formula: C5H12N2O

Class: Extractables/Leachables

Spectral Data

Methylbutylnitrosamine mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion with FAIMS
No. of Spectral Trees 1
No. of Spectra 105
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 9/9/2020 1:01:03 PM
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Identificators

InChI InChI=1S/C5H12N2O/c1-3-4-5-7(2)6-8/h3-5H2,1-2H3
InChI Key PKTSCJXWLVREKX-UHFFFAOYSA-N
Canonical SMILES CCCCN(C)N=O
CAS
Splash
Other Names NMBA;
MBNA;
1-Butanamine, N-methyl-N-nitroso-;
Butanamine, N-methyl-N-nitroso-;
Butylamine, N-methyl-N-nitroso-;
Butylmethylnitrosamine;
Methyl-butyl-nitrosamin;
Methylbutylnitrosoamine;
Methyl-N-butylnitrosamine;
N-Butyl-N-methylnitrosamine;
N-Butyl-N-methylnitrous amide;
Nitrosomethyl-N-butylamine;
N-Methyl-N-butylnitrosamine;
N-Methyl-N-nitrosobutylamine;
N-Nitrosomethyl-N-butylamine;
N-Nitroso-N-butylmethylamine;
N-Nitroso-N-methylbutylamine;
N-Nitroso-N-methyl-N-N-butylamine

In Other Databases

ChEMBL CHEMBL348740
ChemSpider 21943
ChemIDPlus 007068839
PubChem 23471