1-Nitropropane

CAT: 0127-OR1004149-02Size: 1 gDry Ice: NoHazardous: No

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CAS Number

108-03-2

MDL Number

MFCD00007407

Purity

95%

Smiles

CCC[N+]([O-])=O

Chemical Information

1-Nitropropane

1-nitropropane is a nitroalkane that is propane substituted at C-1 by a nitro group. It derives from a hydride of a propane.

CAS Number	108-03-2
PubChem CID	7903
IUPAC Name	1-nitropropane
Molecular Formula	C3H7NO2
Molecular Weight	89.09
XLogP	0.9
Topological Polar Surface Area	45.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	6
Formal Charge	0
Complexity	47

SMILES

CCC[N+](=O)[O-]

InChI

InChI=1S/C3H7NO2/c1-2-3-4(5)6/h2-3H2,1H3

InChIKey

JSZOAYXJRCEYSX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 108-03-2

CID: 7903

Formula: C3H7NO2

MW: 89.09

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	89.09
XLogP3	0.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	89.047678466
Monoisotopic Mass	89.047678466
Topological Polar Surface Area	45.8 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	47.2
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR95641-01	2-Methyl-2-nitropropane
OR95375	2- (Hydroxymethyl) -2-nitropropane-1,3-diol
OR75671-01	2-Methyl-2-nitropropane-1,3-diol
OR942029	1-Phenyl-2-nitropropene
OR1004006-01	1-Nitropropan-2-ol
PC102881-01	1,1,1-Trifluoro-2- (2-fluoropyridin-3-yl) -3-nitropropan-2-ol
OR92378-01	3-Nitropropanol
OR310298	Tert-Butyl 2- (2-methyl-1-nitropropan-2-yl) hydrazinecarboxylate
OR1026585-01	2-Methyl-2-Nitrosopropane Dimer
BUP12620-01	1,1,1,1-Kestohexaose

Catalog	Name
TRC-N519595-50G	1-Nitropropane
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C16190-01	1-Chloro-1-nitropropane 95%
FB67193-01	1- (3-Bromophenyl) -2-nitropropane
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AQ A1 0001-01	1-fluoro-2-methyl-2-nitropropane
FA66971-01	1- (4-Aminophenyl) -2-nitropropane hydrochloride
C16200	2-Chloro-2-nitropropane
sc-229979	2-Bromo-2-nitropropane