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2-methylbutyl nitrite

2-methylbutyl nitrite structure

CAS No:
1653-56-1
Formula:
C5H11NO2
Chemical Name:
2-methylbutyl nitrite
Synonyms:
2-methylbutyl nitrite;2-Methyl-1-butanol nitrite;1653-56-1;Amyl nitrite II;Isopentenyl nitrite;SCHEMBL2015595;DTXSID70274074;Q27285784
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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2-methylbutyl nitrite Basic Attributes

Molecular Weight：

117.15 g/mol

Exact Mass：

117.078978594 g/mol

DSSTox ID：

DTXSID70274074

Characteristics

PSA：

38.7 Å²

Computed Properties

Molecular Weight:117.15
XLogP3:1.7
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:117.078978594
Monoisotopic Mass:117.078978594
Topological Polar Surface Area:38.7
Heavy Atom Count:8
Complexity:65.4
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes