1-Methyl-1,2,3,4-tetrahydroisoquinoline - CAS 4965-09-7

Catalog:	BB026766
Product Name:	1-Methyl-1,2,3,4-tetrahydroisoquinoline
CAS:	4965-09-7
Synonyms:	1-methyl-1,2,3,4-tetrahydroisoquinoline; 1-methyl-1,2,3,4-tetrahydroisoquinoline

Technical Data

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Computed Properties

IUPAC Name:	1-methyl-1,2,3,4-tetrahydroisoquinoline
Description:	1-Methyl-1,2,3,4-tetrahydroisoquinoline (CAS# 4965-09-7) is a useful research chemical.
Molecular Weight:	147.22
Molecular Formula:	C10H13N
Canonical SMILES:	CC1C2=CC=CC=C2CCN1
InChI:	InChI=1S/C10H13N/c1-8-10-5-3-2-4-9(10)6-7-11-8/h2-5,8,11H,6-7H2,1H3
InChI Key:	QPILYVQSKNWRDD-UHFFFAOYSA-N
Boiling Point:	239.3 °C at 760 mmHg
Density:	0.966 g/cm³
MDL:	MFCD00798989
LogP:	2.22210

Publication Number	Title	Priority Date
WO-2021071843-A1	Muscarinic acetylcholine m1 receptor antagonists	20191007
WO-2020192560-A1	Chiral isoquinoline carboxylic acid and preparation method thereof	20190325
WO-2020109224-A1	Further heteroaromatic compounds having activity against rsv	20181126
EP-3784667-A1	Heteroaromatic compounds having activity against rsv	20180423
EP-3717486-A1	Pyrazolopyrimidines having activity against the respiratory syncytial virus (rsv)	20171129

PMID	Publication Date	Title	Journal
22316420	20120208	Evaluation of blood-brain barrier transport and CNS drug metabolism in diseased and control brain after intravenous L-DOPA in a unilateral rat model of Parkinson's disease	Fluids and barriers of the CNS
23087137	20120101	Comparative behavioral and neurochemical studies of R- and S-1-methyl-1,2,3,4-tetrahydroisoquinoline stereoisomers in the rat	Pharmacological reports : PR
21069490	20110801	Both stereoselective (R)- and (S)-1-Methyl-1,2,3,4-tetrahydroisoquinoline enantiomers protect striatal terminals against rotenone-induced suppression of dopamine release	Neurotoxicity research
21273655	20101101	Important role of 3-methoxytyramine in the inhibition of cocaine sensitization by 1-methyl-1,2,3,4-tetrahydroisoquinoline: an in vivo microdialysis study	Pharmacological reports : PR
21273661	20101101	1-Methyl-1,2,3,4-tetrahydroisoquinoline and established uncompetitive NMDA receptor antagonists induce tolerance to excitotoxicity	Pharmacological reports : PR

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GHS Hazard Statement:	H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	133
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	147.104799419
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	147.104799419
Rotatable Bond Count:	0
Topological Polar Surface Area:	12 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7