1-Benzyl-1,2,3,6-tetrahydropyridine-4-D - CAS 1036203-25-4

Catalog:	BB001184
Product Name:	1-Benzyl-1,2,3,6-tetrahydropyridine-4-D
CAS:	1036203-25-4
Synonyms:	1-(phenylmethyl)-3,6-dihydro-2H-pyridine; 1-benzyl-3,6-dihydro-2H-pyridine

Technical Data

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Computed Properties

IUPAC Name:	1-benzyl-3,6-dihydro-2H-pyridine
Description:	1-Benzyl-1,2,3,6-tetrahydropyridine-4-D (CAS# 1036203-25-4 ) is a useful research chemical.
Molecular Weight:	174.26
Molecular Formula:	C12H14ND
Canonical SMILES:	C1CN(CC=C1)CC2=CC=CC=C2
InChI:	InChI=1S/C12H15N/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1-5,7-8H,6,9-11H2
InChI Key:	SIRJFTFGHZXRRZ-UHFFFAOYSA-N
LogP:	2.38640

Publication Number	Title	Priority Date
WO-2021126728-A1	Prmt5 inhibitors	20191217
WO-2021126731-A1	Prmt5 inhibitors	20191217
CN-109762007-A	A kind of process synthesizing N- substitution -1,2,5,6- tetrahydropyridine -4- borate	20190227
WO-2020053600-A1	Enantiomeric compounds	20180914
WO-2019142900-A1	Method for producing n-alkoxycarbonylpiperidine derivative, and intermediate therefor	20180119

PMID	Publication Date	Title	Journal
22078410	20111215	Time-dependent slowly-reversible inhibition of monoamine oxidase A by N-substituted 1,2,3,6-tetrahydropyridines	Bioorganic & medicinal chemistry

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Related Functional Groups

Pyridines

[1951441-75-0]
2-(6-Methoxypyridin-2-yl)ethan-1-amine hydrochloride
[942206-23-7]
2,5-Dichloro-3-iodopyridine
[1198098-45-1]
3-Allyl-5-methyl-1H-pyrrolo[2,3-b]pyridine
[643762-61-2]
3-Bromo-2-(bromomethyl)-6-fluoropyridine
[133928-61-7]
4-Chloro-N-phenylpicolinamide
[1222533-88-1]
5-(Trifluoromethyl)-1-(triisopropylsilyl)-1H-pyrrolo[2,3-b]pyridine-4-carboxylic acid

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:	168
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	173.120449483
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	173.120449483
Rotatable Bond Count:	2
Topological Polar Surface Area:	3.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4