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1-Isobutyl-3-nitroguanidine

1-Isobutyl-3-nitroguanidine structure

CAS No:
35089-66-8
Formula:
C5H12N4O2
Chemical Name:
1-Isobutyl-3-nitroguanidine
Synonyms:
1-Isobutyl-3-nitroguanidine;Guanidine, N-(2-methylpropyl)-N'-nitro-

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1-Isobutyl-3-nitroguanidine Basic Attributes

Molecular Weight：

160.17

Exact Mass：

160.09602564 g/mol

UNII：

K02MD24ZXN

NSC Number：

25074

DSSTox ID：

DTXSID70188586

Characteristics

PSA：

96.2 Å²

Density：

1.30±0.1 g/cm3

Melting Point：

120-121 °C

Boiling Point：

225.0±23.0 °C(Predicted)

PKA：

3.85±0.50

Computed Properties

Molecular Weight:160.17
XLogP3:0.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:160.09602564
Monoisotopic Mass:160.09602564
Topological Polar Surface Area:96.2
Heavy Atom Count:11
Complexity:160
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-Isobutyl-3-nitroguanidine

Basic Attributes
Characteristics
Computed Properties

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