Methyltetrazine-amine

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Methyltetrazine-amine

Methyltetrazine-amine | 1345955-28-3

Catalog Number R08-0044
Category Tetrazines
Molecular Formula C10H11N5
Molecular Weight 201.23
Catalog Number Size Price Quantity
R08-0044 -- $--

Product Introduction

Methyltetrazine-amine is one of the reagents used in the in situ activation of a doxorubicin prodrug using imaging-capable nanoparticles.

Chemical Information

Synonyms Methyltetrazine-amine HCl salt;4-(6-Methyl-1,2,4,5-tetrazin-3-yl)benzenemethanamine
Purity 95%
IUPAC Name [4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methanamine
Canonical SMILES CC1=NN=C(N=N1)C2=CC=C(C=C2)CN
InChI InChI=1S/C10H11N5/c1-7-12-14-10(15-13-7)9-4-2-8(6-11)3-5-9/h2-5H,6,11H2,1H3
InChI Key ZWKQKWLZKSZYAT-UHFFFAOYSA-N
  • Product Specification
Storage -20 °C
Signal Danger
GHS Hazard Statements H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (The corresponding statement to each P-code can be found at the GHS Classification page.)

Computed Properties

XLogP3 -0.5
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 2
Exact Mass 201.10144537 g/mol
Monoisotopic Mass 201.10144537 g/mol
Topological Polar Surface Area 77.6Ų
Heavy Atom Count 15
Formal Charge 0
Complexity 182
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 1
Compound Is Canonicalized Yes

Patents

Publication NumberTitlePriority Date
EP-3919091-A1 Bioink for reversibly forming a hydrogel by light 2020-06-05
US-2021325398-A1 Targeted sialic acid labeling compounds, methods, and uses thereof 2020-04-15
WO-2021155297-A1 Methods for labeling and targeting cells 2020-01-29
CN-111732576-B Time-resolved response type rare earth probe activated in bioorthogonal manner, and preparation method and application thereof 2019-12-11
WO-2021007160-A1 Trans-cyclooctene bioorthogonal agents and uses in cancer and immunotherapy 2019-07-05
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