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Aminomalonic acid

CAT: 1568-C17700Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1568-C17700Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1068-84-4
Synonyms
Aminomalonate, Aminopropanedioic acid
SKU
C17700-25mg
Target
Others
Applications
Others
Smiles
C (C (=O) O) (C (=O) O) N
Molecular Formula
C3H5NO4
Additionnal Information
Aminomalonic acid (Aminomalonate, Aminopropanedioic acid) is an amino dicarboxylic acid. It has a role as a human metabolite and a Daphnia magna metabolite.
Storage Conditions
3 years -20°C powder

Chemical Information

Aminomalonic acid

Aminomalonic acid is an amino dicarboxylic acid that is malonic acid in which one of the methylene hydrogens has been replaced by an amino group. It has a role as a human metabolite and a Daphnia magna metabolite. It is functionally related to a malonic acid. It is a conjugate acid of an aminomalonate(1-).

CAS Number1068-84-4
PubChem CID100714
IUPAC Name2-aminopropanedioic acid
Molecular FormulaC3H5NO4
Molecular Weight119.08
XLogP-3.6
Topological Polar Surface Area101
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count8
Formal Charge0
Complexity106
SMILES
C(C(=O)O)(C(=O)O)N
InChI
InChI=1S/C3H5NO4/c4-1(2(5)6)3(7)8/h1H,4H2,(H,5,6)(H,7,8)
InChIKey
JINBYESILADKFW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Aminomalonic acid
CAS: 1068-84-4
CID: 100714
Formula: C3H5NO4
MW: 119.08
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight119.08
XLogP3-3.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass119.02185764
Monoisotopic Mass119.02185764
Topological Polar Surface Area101 Ų
Heavy Atom Count8
Formal Charge0
Complexity106
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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