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DL-Theanine

CAT: 0572-TRC-T405498-5MGSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-T405498-5MGSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
34271-54-0
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
CCNC(=O)CCC(N)C(=O)O
Molecular Formula
C7H14N2O3
Molecular Weight
174.2
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

2-Azaniumyl-5-(ethylamino)-5-oxopentanoate

2-Azaniumyl-5-(ethylamino)-5-oxopentanoate has been reported in Homo sapiens and Trypanosoma brucei with data available.

CAS Number34271-54-0
PubChem CID228398
IUPAC Name2-amino-5-(ethylamino)-5-oxopentanoic acid
Molecular FormulaC7H14N2O3
Molecular Weight174.20
XLogP-3.6
Topological Polar Surface Area92.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count12
Formal Charge0
Complexity170
SMILES
CCNC(=O)CCC(C(=O)O)N
InChI
InChI=1S/C7H14N2O3/c1-2-9-6(10)4-3-5(8)7(11)12/h5H,2-4,8H2,1H3,(H,9,10)(H,11,12)
InChIKey
DATAGRPVKZEWHA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Azaniumyl-5-(ethylamino)-5-oxopentanoate
CAS: 34271-54-0
CID: 228398
Formula: C7H14N2O3
MW: 174.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight174.20
XLogP3-3.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass174.10044231
Monoisotopic Mass174.10044231
Topological Polar Surface Area92.4 Ų
Heavy Atom Count12
Formal Charge0
Complexity170
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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