2-Butyl-1,2,3,4-tetrahydro-isoquinoline

CAS
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Purity
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CAS
92195-34-1
Size
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Purity
96%
Price
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Availability
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Catalog Number

ACM92195341

Product Name

2-Butyl-1,2,3,4-tetrahydro-isoquinoline

Structure

Structure

CAS

92195-34-1

Category

Heterocyclic Organic Compound

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

Molecular Weight

189.296660 [g/mol]

Molecular Formula

C13H19N

Canonical SMILES

CCCCN1CCC2=CC=CC=C2C1

InChI Key

QDRWTFOJAASVDI-UHFFFAOYSA-N

Exact Mass

189.15200

H-Bond Acceptor

1

H-Bond Donor

0

MSDS

COA

Spec Sheet

Download Spec Sheet

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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