1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

carboxymethyl(trimethyl)azanium;nitrate

2.1.2 InChI

InChI=1S/C5H11NO2.NO3/c1-6(2,3)4-5(7)8;2-1(3)4/h4H2,1-3H3;/q;-1/p+1

2.1.3 InChI Key

QJWNYSRCYOCRGE-UHFFFAOYSA-O

2.1.4 Canonical SMILES

C[N+](C)(C)CC(=O)O.[N+](=O)([O-])[O-]

2.2 Other Identifiers

2.2.1 UNII

V3ZLN1NK3G

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 93778-42-8

2. V3zln1nk3g

3. Carboxymethyl(trimethyl)azanium;nitrate

4. Einecs 298-179-5

5. Unii-v3zln1nk3g

6. Dtxsid80239634

7. Methanaminium, 1-carboxy-n,n,n-trimethyl-, Nitrate (1:1)

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₅H₁₂N₂O₅
Molecular Weight	180.16 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	180.07462149 g/mol
Monoisotopic Mass	180.07462149 g/mol
Topological Polar Surface Area	100 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	112
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	2

(Carboxymethyl)trimethylammonium Nitrate