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Hypaphorine chemical structure, C14H18N2O2, CAS 487-58-1
2D chemical structure

Key facts

What buyers check first

CAS number
487-58-1
Formula
C14H18N2O2
Molar mass
246.31 g/mol
EC number
803-882-2
HS code
293399
Category
Heterocyclic compounds

What is Hypaphorine?

Plain description, key identifiers and synonyms

Hypaphorine is an amino acid betaine obtaine by exhaustive methylation of the alpha-amino group of L-tryptophan with concomitant deprotonation of the carboxy group. It has a role as a xenobiotic, a plant metabolite and a fungal metabolite. It is an amino-acid betaine, an indole alkaloid and a L-tryptophan derivative.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2S)-3-(1H-indol-3-yl)-2-(trimethylazaniumyl)propanoate
CAS number
487-58-1 CAS number cross-checked
EC number
803-882-2
Molecular formula
C14H18N2O2
UNII
GJ3358U63L
MDL number
MFCD00270191
InChIKey
AOHCBEAZXHZMOR-ZDUSSCGKSA-N
InChI
InChI=1S/C14H18N2O2/c1-16(2,3)13(14(17)18)8-10-9-15-12-7-5-4-6-11(10)12/h4-7,9,13,15H,8H2,1-3H3/t13-/m0/s1
Canonical SMILES
C[N+](C)(C)C(Cc1c[nH]c2ccccc12)C(=O)[O-]
Isomeric SMILES
C[N+](C)(C)[C@@H](CC1=CNC2=CC=CC=C21)C(=O)[O-]

Synonyms

  • Lenticin
  • (+)-Hypaphorine
  • L-Hypaphorine
  • Tryptophan betaine
  • Glyyunnanenine
  • Lenticine
  • L-tryptophan betaine
  • Hypaphorine, (+)-
  • N,N,N-trimethyltryptophan betaine
  • Tryptophan, trimethylbetaine
  • 1H-Indole-3-ethanaminium, alpha-carboxy-N,N,N-trimethyl-, inner salt, (S)-
  • (.Alpha.s)-alpha-carboxy-N,N,N-trimethyl-1H-indole-3-ethanaminium inner salt
  • 1H-Indole-3-ethanaminium, alpha-carboxy-N,N,N-trimethyl-, inner salt, (.alpha.s)-
  • (2R)-3-(1H-indol-3-yl)-2-(trimethylazaniumyl)propanoate
  • (Alphas)-alpha-carboxy-N,N,N-trimethyl-1H-indole-3-ethanaminium inner salt
  • 1H-Indole-3-ethanaminium, alpha-carboxy-N,N,N-trimethyl-, inner salt, (alphas)-
  • (2S)-3-(1H-indol-3-yl)-2-(trimethylazaniumyl)propanoate
  • (S)-3-(1H-Indol-3-yl)-2-(trimethylammonio)propanoate
  • Hypaforin
  • N,N,N-trimethyl-tropaphone inner salt
  • Hypaphorine (Trimethyltryptophan, Lenticine)
  • (2S)-3-(1H-indol-3-yl)-2-(trimethylammonio)propanoate
  • (2S)-3-(1H-indol-3-yl)-2-(trimethylammonio)propionate
  • Hypaphorine487-58-1, Glyyunnanenine, Tryptophan betaine
  • alpha-Carboxylato-N,N,N-trimethyl-1H-indole-3-ethan-1-aminium
Show all 27 synonyms
  • N,N,N-Trimethyl-1-carboxylato-2-(1H-indole-3-yl)ethanaminium
  • (1-Carboxy-2-indol-3-ylethyl)trimethylammonium hydroxide inner salt

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
246.31 g/molcalc.
Exact mass
246.1368 Dacalc.
LogP (octanol/water)
0.54calc.
Topological polar surface area
55.92 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
4calc.
Heavy atoms
18calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.36calc.
Formal charge
0calc.
Stereocentres
1calc.
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, c1ccc2[nH]ccc2c1

c1ccc2[nH]ccc2c1

2 rings, 9 atoms, the Indole ring system.

25,097 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS07: Harmful or irritant
Harmful or irritant
GHS09: Hazardous to the environment
Hazardous to the environment

Hazard statements

  • H302Harmful if swallowed.
  • H400Very toxic to aquatic life.
  • H410Very toxic to aquatic life with long lasting effects.
Precautionary statements (7)
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P273Avoid release to the environment.
  • P301 + P317If swallowed: Get medical help.
  • P330Rinse mouth.
  • P391Collect spillage.
  • P501Dispose of contents and container in accordance with local regulations.

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

Full safety data and first aid

Hypaphorine suppliers

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All 3 suppliers

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Where suppliers are based

3 suppliers in 2 countries

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Hypaphorine price

Indicative price range per kg from live supplier offers

No published prices right now

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Uses and applications

What the substance is used for, by industry and function

Roles

  • eukaryotic metabolite
  • fungal metabolite
  • metabolite
  • plant metabolite
  • xenobiotic

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 Hypaphorine 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 Hypaphorine is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Hypaphorine?

Hypaphorine is an amino acid betaine obtaine by exhaustive methylation of the alpha-amino group of L-tryptophan with concomitant deprotonation of the carboxy group. It has a role as a xenobiotic, a plant metabolite and a fungal metabolite. It is an amino-acid betaine, an indole alkaloid and a L-tryptophan derivative.

What is the CAS number of Hypaphorine?

The CAS registry number of Hypaphorine is 487-58-1.

What is the molecular formula and weight of Hypaphorine?

The molecular formula of Hypaphorine is C14H18N2O2 and its molar mass is 246.31 g/mol.

What is Hypaphorine used for?

Known uses and roles of Hypaphorine include eukaryotic metabolite, fungal metabolite, metabolite, plant metabolite and xenobiotic.

Is Hypaphorine hazardous?

Hypaphorine carries the GHS signal word "Warning". Main hazards: harmful if swallowed, very toxic to aquatic life, very toxic to aquatic life with long lasting effects. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Hypaphorine?

Hypaphorine 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 Hypaphorine?

CompoundList lists 3 suppliers of Hypaphorine in China and Netherlands. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Hypaphorine?

Suppliers quote Hypaphorine 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 Hypaphorine

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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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