2-(3-methoxyphenyl)guanidine;nitric acid

C8H12N4O4 — CID 67005874

IUPAC2-(3-methoxyphenyl)guanidine;nitric acid
SMILESCOc1cccc(N=C(N)N)c1.O=[N+]([O-])O
InChIInChI=1S/C8H11N3O.HNO3/c1-12-7-4-2-3-6(5-7)11-8(9)10;2-1(3)4/h2-5H,1H3,(H4,9,10,11);(H,2,3,4)
InChIKeyLDQCMNOIXDSSGU-UHFFFAOYSA-N
MW228.21 g/mol
LogP0.25
Rot. Bonds2

About 2-(3-methoxyphenyl)guanidine;nitric acid

2-(3-methoxyphenyl)guanidine;nitric acid (PubChem CID 67005874) has the molecular formula C8H12N4O4 and a molecular weight of 228.21 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)guanidine;nitric acid.

Molecular Properties

Compound Name2-(3-methoxyphenyl)guanidine;nitric acid
PubChem CID67005874
Molecular FormulaC8H12N4O4
Molecular Weight228.21 g/mol
Exact Mass228.09
IUPAC Name2-(3-methoxyphenyl)guanidine;nitric acid
SMILESCOc1cccc(N=C(N)N)c1.O=[N+]([O-])O
InChIInChI=1S/C8H11N3O.HNO3/c1-12-7-4-2-3-6(5-7)11-8(9)10;2-1(3)4/h2-5H,1H3,(H4,9,10,11);(H,2,3,4)
InChIKeyLDQCMNOIXDSSGU-UHFFFAOYSA-N
XLogP0.25
TPSA137.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3-methoxyphenyl)guanidine;nitrous acid
CID 86595100
2-(3-methylsulfonylphenyl)guanidine;nitric acid
CID 67269255
2-(3-nitrophenyl)guanidine
CID 15667866
2-(4-methylphenyl)guanidine;nitric acid
CID 12910055
2-[3-[1-(5-acetyl-4,6-dihydroxy-2-oxopyran-3-yl)ethylideneamino]phenyl]guanidine;nitric acid
CID 136502460
4-[(3-methoxyphenyl)iminomethyl]-2-nitrophenol
CID 137080897
1-N',4-N'-bis[N'-(3-methoxyphenyl)carbamimidoyl]piperazine-1,4-dicarboximidamide
CID 134152566
2-(2-methoxy-6-nitrophenyl)guanidine
CID 57077642
3-methoxy-N'-phenylbenzenecarboximidamide
CID 70654752
1,3-dinitrobenzene;3-methoxyphenol
CID 174564755
N-(3-methoxyphenyl)-1-(2-nitrophenyl)methanimine
CID 4191287
(2,6-dichlorophenyl)methyl N'-(3-methoxyphenyl)carbamimidothioate
CID 8776421

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)guanidine;nitric acid?
The IUPAC name of 2-(3-methoxyphenyl)guanidine;nitric acid (CID 67005874) is 2-(3-methoxyphenyl)guanidine;nitric acid.
What is the SMILES notation for 2-(3-methoxyphenyl)guanidine;nitric acid?
The canonical SMILES for 2-(3-methoxyphenyl)guanidine;nitric acid is COc1cccc(N=C(N)N)c1.O=[N+]([O-])O.
What is the InChIKey of 2-(3-methoxyphenyl)guanidine;nitric acid?
The InChIKey is LDQCMNOIXDSSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O.HNO3/c1-12-7-4-2-3-6(5-7)11-8(9)10;2-1(3)4/h2-5H,1H3,(H4,9,10,11);(H,2,3,4).
What are the key properties of 2-(3-methoxyphenyl)guanidine;nitric acid?
2-(3-methoxyphenyl)guanidine;nitric acid has a molecular weight of 228.21 g/mol, XLogP of 0.25, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)guanidine;nitric acid is sourced from PubChem (CID 67005874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).