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42923-76-2 molecular structure
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6-methyl-1,2,3,4-tetrahydroisoquinoline

ChemBase ID: 811230
Molecular Formular: C10H13N
Molecular Mass: 147.21692
Monoisotopic Mass: 147.10479942
SMILES and InChIs

SMILES:
c1cc2c(cc1C)CCNC2
Canonical SMILES:
Cc1ccc2c(c1)CCNC2
InChI:
InChI=1S/C10H13N/c1-8-2-3-10-7-11-5-4-9(10)6-8/h2-3,6,11H,4-5,7H2,1H3
InChIKey:
JQOUGGPGOWRLPX-UHFFFAOYSA-N

Cite this record

CBID:811230 http://www.chembase.cn/molecule-811230.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-methyl-1,2,3,4-tetrahydroisoquinoline
IUPAC Traditional name
6-methyl-1,2,3,4-tetrahydroisoquinoline
Synonyms
6-METHYL-1,2,3,4-TETRAHYDRO-ISOQUINOLINE
CAS Number
42923-76-2

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O30403 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O30403 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.0714216  LogD (pH = 7.4) 0.10197074 
Log P 2.0849044  Molar Refractivity 47.6568 cm3
Polarizability 18.378813 Å3 Polar Surface Area 12.03 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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