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4-[cyclohexyl(methyl)amino]-3-nitrobenzoicacid

4-[cyclohexyl(methyl)amino]-3-nitrobenzoicacid structure

CAS No:
309943-04-2
Formula:
C14H18N2O4
Chemical Name:
4-[cyclohexyl(methyl)amino]-3-nitrobenzoicacid
Synonyms:
4-[cyclohexyl(methyl)amino]-3-nitrobenzoic acid;Benzoic acid, 4-(cyclohexylmethylamino)-3-nitro-

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4-[cyclohexyl(methyl)amino]-3-nitrobenzoicacid Basic Attributes

Molecular Weight：

278.3

Exact Mass：

278.12665706

HScode：

2922499990

Characteristics

PSA：

86.36000

XLogP3：

3.58510

Density：

1.298±0.06 g/cm3

Boiling Point：

456.9±40.0 °C(Predicted)

PKA：

4.29±0.10

Safety Information

Hazard category：

IRRITANT

Computed Properties

Molecular Weight:278.30
XLogP3:3.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:278.12665706
Monoisotopic Mass:278.12665706
Topological Polar Surface Area:86.4
Heavy Atom Count:20
Complexity:363
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-[cyclohexyl(methyl)amino]-3-nitrobenzoicacid

Basic Attributes
Characteristics
Safety Information
Computed Properties

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