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Heterocyclic building blocks

Aphanorphine

Also known as (1R,4R)-1,3-dimethyl-2,3,4,5-tetrahydro-1H-1,4-methanobenzo(d)azepin-8-ol, (1S,9S)-1,10-dimethyl-10-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-ol

CAS 118964-06-0Formula C13H17NOMolar mass 203.29 g/mol
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Aphanorphine chemical structure, C13H17NO, CAS 118964-06-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
118964-06-0
Formula
C13H17NO
Molar mass
203.29 g/mol
HS code
293399
Category
Heterocyclic building blocks

What is Aphanorphine?

Plain description, key identifiers and synonyms

Aphanorphine is a benzazepine.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1S,9S)-1,10-dimethyl-10-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-ol
CAS number
118964-06-0 CAS number cross-checked
Molecular formula
C13H17NO
InChIKey
FVVVZSVINPVAIU-GXFFZTMASA-N
InChI
InChI=1S/C13H17NO/c1-13-7-10(14(2)8-13)5-9-3-4-11(15)6-12(9)13/h3-4,6,10,15H,5,7-8H2,1-2H3/t10-,13+/m0/s1
Canonical SMILES
CN1CC2(C)CC1Cc1ccc(O)cc12
Isomeric SMILES
C[C@]12C[C@H](CC3=C1C=C(C=C3)O)N(C2)C

Synonyms

  • (1R,4R)-1,3-dimethyl-2,3,4,5-tetrahydro-1H-1,4-methanobenzo(d)azepin-8-ol
  • (1S,9S)-1,10-dimethyl-10-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-ol

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
203.29 g/molcalc.
Exact mass
203.131 Dacalc.
LogP (octanol/water)
1.91calc.
Topological polar surface area
23.47 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
0calc.
Heavy atoms
15calc.
Rings
3calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.54calc.
Formal charge
0calc.
Stereocentres
2calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, c1ccc2c(c1)CC1CC2CN1

c1ccc2c(c1)CC1CC2CN1

3 rings, 12 atoms.

4 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Aphanorphine suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

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Aphanorphine price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

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Uses and applications

What the substance is used for, by industry and function

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Aphanorphine is traded under.

HS 2933.99Indicative HS code

Heterocyclic compounds with nitrogen hetero-atom(s) only, other

World exports in 2024
$12.1B
−31.0% vs 2023, imports $28.8B
2019 to 2024
Top exporters
  1. China30.5%
  2. India * partner reported16.3%
  3. Ireland9.0%
Top importers
  1. Slovenia31.7%
  2. Italy24.2%
  3. United States5.0%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Aphanorphine is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Aphanorphine, based on the data on this page

What is Aphanorphine?

Aphanorphine is a benzazepine.

What is the CAS number of Aphanorphine?

The CAS registry number of Aphanorphine is 118964-06-0.

What is the molecular formula and weight of Aphanorphine?

The molecular formula of Aphanorphine is C13H17NO and its molar mass is 203.29 g/mol.

What is Aphanorphine used for?

Known uses and roles of Aphanorphine include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Aphanorphine hazardous?

No GHS hazard classification for Aphanorphine is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Aphanorphine?

Aphanorphine is usually classified under HS code 293399 (Heterocyclic compounds with nitrogen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Aphanorphine?

Post a free request on CompoundList and suppliers of Aphanorphine will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Aphanorphine?

Suppliers quote Aphanorphine on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Aphanorphine

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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