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Methyltetrazine-amine | CAS 1345955-28-3

Name: Methyltetrazine-amine
Brand: BOC Sciences
Rating: 5 (1 reviews)

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Product Introduction

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

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
InChIKey	ZWKQKWLZKSZYAT-UHFFFAOYSA-N

Storage	-20 °C
Signal	Danger
GHSHazardStatements	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.)

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	77.6Å²
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

Publication Number	Title	Priority 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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