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1-Nitroheptane

1-Nitroheptane structure

CAS No:
693-39-0
Formula:
C7H15NO2
Chemical Name:
1-Nitroheptane
Synonyms:
Heptane,1-nitro-;1-Nitroheptane

Description

1-nitroheptane is a primary nitroalkane that is heptane substituted by a nitro group at position 1. It has a role as a human urinary metabolite. It derives from a hydride of a heptane.

1-Nitroheptane Basic Attributes

Molecular Weight：

145.202

Exact Mass：

145.20

DSSTox ID：

DTXSID60219353

Characteristics

PSA：

45.8

XLogP3：

3.2

Density：

0.9476

Boiling Point：

194 °C

Computed Properties

Molecular Weight:145.20
XLogP3:3.2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:145.110278721
Monoisotopic Mass:145.110278721
Topological Polar Surface Area:45.8
Heavy Atom Count:10
Complexity:88.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-Nitroheptane

Description
Basic Attributes
Characteristics
Computed Properties

1-Nitroheptane

SDS

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