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1,8-Dimethyl-1,2,3,4-tetrahydroisoquinoline

HCID 21476500
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Basic information

CAS
167710-00-1
Standard SMILES
Cc1cccc2c1C(C)NCC2
InChIKey
BMDFKTPLHIOAQJ-UHFFFAOYSA-N
Molecular formula
C11H15N
Average molar mass
161.24 g/mol
Monoisotopic mass
161.12044948

Names & identifiers

Preferred name
1,8-Dimethyl-1,2,3,4-tetrahydroisoquinoline
IUPAC
1,8-dimethyl-1,2,3,4-tetrahydroisoquinoline

Names & synonyms

1,8-dimethyl-1,2,3,4-tetrahydroisoquinoline167710-00-1SCHEMBL7818489BMDFKTPLHIOAQJ-UHFFFAOYSA-NAKOS014016643EN300-1245029

Database identifiers

CAS
167710-00-1
PubChem CID
21476500
EC Number
883-385-5

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
12 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
12
Formal charge
0
Complexity
155

Related reactions

2 records
New reaction record
HRID 1554844 reaction equation
HRID 1554844As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID 2293135 reaction equation
HRID 2293135As productuspto-grants-1997_11

Compound notes

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