CAS
921939-12-0 Purity
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921939-12-0 Purity
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2-Butyl-1,2,3,4-tetrahydro-isoquinoline
CAS
92195-34-1
Catalog Number
ACM92195341
Category
Other Products
Molecular Weight
189.296660 [g/mol]
Molecular Formula
C13H19N
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Specification
Synonyms
2-BUTYL-1,2,3,4-TETRAHYDRO-ISOQUINOLINE, 92195-34-1, SureCN155413, AC1L8ZV0, AGN-PC-006ZE7, NIOSH/NX4916700, CTK5H1026, 2-butyl-3,4-dihydro-1H-isoquinoline, AKOS006241947, AG-H-78270, 1,2,3,4-Tetrahydro-2-butylisoquinoline, 2-Butyl-1,2,3,4-tetrahydroisoquinoline, AK140180, LS-85835, NX49167000, Isoquinoline, 1,2,3,4-tetrahydro-2-butyl-, Isoquinoline, 2-butyl-1,2,3,4-tetrahydro-
IUPAC Name
2-butyl-3,4-dihydro-1H-isoquinoline
Canonical SMILES
CCCCN1CCC2=CC=CC=C2C1
InChI Key
QDRWTFOJAASVDI-UHFFFAOYSA-N
Exact Mass
189.15200
H-Bond Acceptor
1
H-Bond Donor
0
What is the molecular formula of 2-Butyl-1,2,3,4-tetrahydro-isoquinoline?
The molecular formula is C13H19N.
When was PubChem CID 410773 created and last modified?
It was created on 2005-03-26 and last modified on 2023-12-30.
What is the IUPAC name of 2-Butyl-1,2,3,4-tetrahydro-isoquinoline?
The IUPAC name is 2-butyl-3,4-dihydro-1H-isoquinoline.
What is the Canonical SMILES of 2-Butyl-1,2,3,4-tetrahydro-isoquinoline?
The Canonical SMILES is CCCCN1CCC2=CC=CC=C2C1.
What is the molecular weight of 2-Butyl-1,2,3,4-tetrahydro-isoquinoline?
The molecular weight is 189.30 g/mol.
How many hydrogen bond donor counts does 2-Butyl-1,2,3,4-tetrahydro-isoquinoline have?
It has 0 hydrogen bond donor counts.
What is the topological polar surface area of 2-Butyl-1,2,3,4-tetrahydro-isoquinoline?
The topological polar surface area is 3.2 Å2.
How many rotatable bond counts are there in 2-Butyl-1,2,3,4-tetrahydro-isoquinoline?
There are 3 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
What is the InChIKey of 2-Butyl-1,2,3,4-tetrahydro-isoquinoline?
The InChIKey is QDRWTFOJAASVDI-UHFFFAOYSA-N.
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