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Home > Encyclopedia > 1-Nitro-3-methylbutane

1-Nitro-3-methylbutane

1-Nitro-3-methylbutane structure

1-Nitro-3-methylbutane 

structure
  • CAS No:

    627-67-8

  • Formula:

    C5H11NO2

  • Chemical Name:

    1-Nitro-3-methylbutane

  • Synonyms:

    Butane,3-methyl-1-nitro-;3-Methyl-1-nitrobutane;1-Nitro-3-methylbutane

Description

3-methyl-1-nitrobutane is a primary nitroalkane that is 2-methylbutane substituted by a nitro group at position 4. It is a herbivore-induced plant volatile found in the leaves of Oenothera biennis. It has a role as a plant metabolite. It is a primary nitroalkane and a volatile organic compound.

1-Nitro-3-methylbutane Basic Attributes

117.148

117.15

211-008-0

2044IXU3WI

DTXSID90211769

Characteristics

45.8

1.7

0.8828 g/cm3 @ Temp: 19.5 °C

97 °C

163.5 °C

Computed Properties

Molecular Weight:117.15
XLogP3:1.7
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:117.078978594
Monoisotopic Mass:117.078978594
Topological Polar Surface Area:45.8
Heavy Atom Count:8
Complexity:75
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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