N-chloro-N-methylmethanamine;nitric acid

C2H7ClN2O3 — CID 88721738

IUPACN-chloro-N-methylmethanamine;nitric acid
SMILESCN(C)Cl.O=[N+]([O-])O
InChIInChI=1S/C2H6ClN.HNO3/c1-4(2)3;2-1(3)4/h1-2H3;(H,2,3,4)
InChIKeyKBBBOMIRRFLVIW-UHFFFAOYSA-N
MW142.54 g/mol
LogP0.35
Rot. Bonds

About N-chloro-N-methylmethanamine;nitric acid

N-chloro-N-methylmethanamine;nitric acid (PubChem CID 88721738) has the molecular formula C2H7ClN2O3 and a molecular weight of 142.54 g/mol. Its IUPAC name is N-chloro-N-methylmethanamine;nitric acid.

Molecular Properties

Compound NameN-chloro-N-methylmethanamine;nitric acid
PubChem CID88721738
Molecular FormulaC2H7ClN2O3
Molecular Weight142.54 g/mol
Exact Mass142.01
IUPAC NameN-chloro-N-methylmethanamine;nitric acid
SMILESCN(C)Cl.O=[N+]([O-])O
InChIInChI=1S/C2H6ClN.HNO3/c1-4(2)3;2-1(3)4/h1-2H3;(H,2,3,4)
InChIKeyKBBBOMIRRFLVIW-UHFFFAOYSA-N
XLogP0.35
TPSA66.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.54
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', '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

beryllium;hydride;nitric acid;trihydrate
CID 173051038
methanol;nitric acid;yttrium
CID 20642582
cobalt;bis(nitric acid)
CID 59294240
azane;tetrakis(nitric acid)
CID 173388272
tripentacontapotassium;pentakis(nitric acid)
CID 173441316
cadmium;bis(nitric acid)
CID 72833329
azane;decakis(nitric acid)
CID 173055393
azane;(nitric acid)
CID 173431766
CID 173018650
CID 173018650
einsteinium;tris(nitric acid)
CID 131879224
hydrogen peroxide;nitric acid
CID 22590704
lutetium;nitric acid
CID 54604402

Frequently Asked Questions

What is the IUPAC name of N-chloro-N-methylmethanamine;nitric acid?
The IUPAC name of N-chloro-N-methylmethanamine;nitric acid (CID 88721738) is N-chloro-N-methylmethanamine;nitric acid.
What is the SMILES notation for N-chloro-N-methylmethanamine;nitric acid?
The canonical SMILES for N-chloro-N-methylmethanamine;nitric acid is CN(C)Cl.O=[N+]([O-])O.
What is the InChIKey of N-chloro-N-methylmethanamine;nitric acid?
The InChIKey is KBBBOMIRRFLVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6ClN.HNO3/c1-4(2)3;2-1(3)4/h1-2H3;(H,2,3,4).
What are the key properties of N-chloro-N-methylmethanamine;nitric acid?
N-chloro-N-methylmethanamine;nitric acid has a molecular weight of 142.54 g/mol, XLogP of 0.35, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-N-methylmethanamine;nitric acid is sourced from PubChem (CID 88721738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).