CAS 111635-08-6 1-Methyl-1,2,3,4-tetrahydroisoquinoline hydrochloride molecular structure

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CAS RN: 111635-08-6

1-Methyl-1,2,3,4-tetrahydroisoquinoline hydrochloride

Product Availability

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3 package records3 with current stock1 grade group

Grade In stock only

Batch No.	Package	Availability	Warehouse	Inquiry
Batchno.20250606	1g	In stock	Shenzhen, Tianjin, Chengdu	Inquiry
Batchno.20251018	25g	In stock	Shanghai, Shenzhen, Tianjin	Inquiry
Batchno.20251018	5g	In stock	Shanghai, Shenzhen, Tianjin, Chengdu	Inquiry

Product code: SSC-012256

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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

Pack sizes on record: 25g
Available purity: ≥95%
Inventory rows with stock: 0
Bulk packaging: confirmed by inquiry

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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 111635-08-6
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
25g	≥95%	0 Out of Stock	Hong Kong	Inquiry

111635-08-6 / 1-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride

1-methyl-1,2,3,4-tetrahydroisoquinoline Hydrochloride | DTXSID80431035 | RefChem:231416

Standard CAS: 111635-08-6 Multi CAS: No

Basic Information Computed Properties Safety & Transport

Basic Information

CAS

111635-08-6

Multi CAS

Molecular Formula

C10H14ClN

Molecular Weight

183.680000

Exact Mass

183.081477

SMILES

CC1C2=CC=CC=C2CCN1.Cl

InChI

InChI=1S/C10H13N.ClH/c1-8-10-5-3-2-4-9(10)6-7-11-8;/h2-5,8,11H,6-7H2,1H3;1H

InChIKey

CFEGVJOLMOPMHU-UHFFFAOYSA-N

Synonyms

1-methyl-1,2,3,4-tetrahydroisoquinoline Hydrochloride DTXSID80431035 RefChem:231416 DTXCID60381867 828-589-7

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.4

H-bond acceptors

H-bond donors

Molar refractivity

53.81

TPSA

12.03

LogP / Solubility

WLOGP

2.32

MLOGP

2.04

XLogP3

2.32

Consensus LogP

2.23

Log S (ESOL)

-2.81

Class (ESOL)

Moderately soluble

Log S (Ali)

-2.74

Class (Ali)

Moderately soluble

Log S (SILICOS-IT)

-2.78

Class (SILICOS-IT)

Moderately soluble

ADME

GI absorption

High

BBB permeant

Yes

P-gp substrate

CYP1A2 inhibitor

CYP2C19 inhibitor

CYP2C9 inhibitor

CYP2D6 inhibitor

CYP3A4 inhibitor

Log Kp (skin permeation)

-2.2

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Yes

Egan

Yes

Muegge

Bioavailability score

0.55

Leadlikeness

Synthetic Accessibility

Safety & Transport

Pictogram(s)

Irritant

Signal

Warning

GHS Hazard Statements

H303+H333 (100%): May be harmful if swallowed or if inhaled [Warning Acute toxicity, oral; acute toxicity, inhalation] H303 (100%): May be harmful if swallowed [Warning Acute toxicity, oral] H313 (100%): May be harmful in contact with skin [Warning Acute toxicity, dermal] H333 (100%): May be harmful if inhaled [Warning Acute toxicity, inhalation]

Precautionary Statement Codes

P301+P317, P302+P317, and P304+P317