2,4,6-Trimethoxybenzylamine - CAS 77648-20-5

Catalog:	BB036004
Product Name:	2,4,6-Trimethoxybenzylamine
CAS:	77648-20-5
Synonyms:	(2,4,6-trimethoxyphenyl)methanamine; (2,4,6-trimethoxyphenyl)methanamine

Technical Data

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Computed Properties

IUPAC Name:	(2,4,6-trimethoxyphenyl)methanamine
Description:	2,4,6-Trimethoxybenzylamine (CAS# 77648-20-5) is a useful research chemical.
Molecular Weight:	197.23
Molecular Formula:	C10H15NO3
Canonical SMILES:	COC1=CC(=C(C(=C1)OC)CN)OC
InChI:	InChI=1S/C10H15NO3/c1-12-7-4-9(13-2)8(6-11)10(5-7)14-3/h4-5H,6,11H2,1-3H3
InChI Key:	MEWBOZDQQISMJM-UHFFFAOYSA-N
LogP:	1.87140

Publication Number	Title	Priority Date
CN-109369445-A	Radioactivity Glutamine Derivatives and preparation method thereof for diagnosing and treating	20181120
CN-109593052-A	Radioactivity arginine derivative and preparation method thereof for diagnosing and treating	20181120
CN-109593052-B	Radioactive arginine derivatives for diagnosis and treatment and preparation method thereof	20181120
CN-109369445-B	Radioactive glutamine derivatives for diagnosis and treatment and process for preparing the same	20181120
WO-2019152685-A1	Spiro-lactam nmda receptor modulators and methods of using same	20180131

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	151
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	197.10519334
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	197.10519334
Rotatable Bond Count:	4
Topological Polar Surface Area:	53.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7