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1-Nitro-3-methylbutane

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
Categories:
Organic Chemistry > Hydrocarbons and Derivatives

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

Molecular Weight：

117.148

Exact Mass：

117.15

EC Number：

211-008-0

UNII：

2044IXU3WI

DSSTox ID：

DTXSID90211769

Characteristics

PSA：

45.8

XLogP3：

1.7

Density：

0.8828 g/cm³ @ Temp: 19.5 °C

Melting Point：

97 °C

Boiling Point：

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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CAS No.: 627-67-8

Grade: Industrial Grade

Content: 99%

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