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Methyltetrazine-amine (hydrochloride)

CAT: 0804-HY-135140A-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-135140A-01Size:5 mg
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Description
Methyltetrazine-Amine hydrochloride is a tetrazine compound. Methyltetrazine-Amine hydrochloride can be used for the site-specific dual functionalization of the resulting bioconjugates. Methyltetrazine-Amine hydrochloride can be added during protein precipitation in experiments using trans-cyclooctene[1][2].
CAS Number
1596117-29-1
UNSPSC
12352005
Hazard Statement
H228, H315, H319
Target
Biochemical Assay Reagents
Related Pathways
Others
Field of Research
Others
Purity
99.74
Solubility
DMSO : 100 mg/mL (ultrasonic) |H2O : 50 mg/mL (ultrasonic)
Smiles
NCC1=CC=C(C=C1)C2=NN=C(C)N=N2.Cl
Molecular Formula
C10H12ClN5
Molecular Weight
237.69
Precautions
H228, H315, H319
References & Citations
[1]Antoine Maruani, et al. A Plug-and-Play Approach for the De Novo Generation of Dually Functionalized Bispecifics. Bioconjug Chem. 2020 Mar 18;31 (3) :520-529.|[2]Cathy A. Muste, et al., Trans-Cyclooctene Isomerization Catalyzed by Thiamine Degradation Products in Cell Culture Media. ACS Omega 2025, 10, 23, 24768–24777.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

(4-(6-Methyl-1,2,4,5-tetrazin-3-yl)phenyl)methanamine hydrochloride
CAS Number1596117-29-1
PubChem CID118239091
IUPAC Name[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methanamine;hydrochloride
Molecular FormulaC10H12ClN5
Molecular Weight237.69
Topological Polar Surface Area77.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity182
SMILES
CC1=NN=C(N=N1)C2=CC=C(C=C2)CN.Cl
InChI
InChI=1S/C10H11N5.ClH/c1-7-12-14-10(15-13-7)9-4-2-8(6-11)3-5-9;/h2-5H,6,11H2,1H3;1H
InChIKey
NIGOLWATPZTKQT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (4-(6-Methyl-1,2,4,5-tetrazin-3-yl)phenyl)methanamine hydrochloride
CAS: 1596117-29-1
CID: 118239091
Formula: C10H12ClN5
MW: 237.69
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight237.69
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass237.0781231
Monoisotopic Mass237.0781231
Topological Polar Surface Area77.6 Ų
Heavy Atom Count16
Formal Charge0
Complexity182
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes