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Amino acids and derivatives

Diphthine

Also known as EF-2 diphthine, Elongation factor 2 diphthine, 2-[(3S)-3-carboxy-3-(trimethylammonio)propyl]-L-histidine

CAS 75645-23-7Formula C13H23N4O4+Molar mass 299.35 g/mol
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Diphthine chemical structure, C13H23N4O4+, CAS 75645-23-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
75645-23-7
Formula
C13H23N4O4+
Molar mass
299.35 g/mol
HS code
293329
Category
Amino acids and derivatives

What is Diphthine?

Plain description, key identifiers and synonyms

Diphthine is a quaternary ammonium ion consisting of L-histidine with a 3-(trimethylammonio)-3-carboxypropyl group at the 2-position of the the imidazole ring. It is a conjugate acid of a diphthinate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(1S)-3-[5-[(2S)-2-amino-2-carboxyethyl]-1H-imidazol-2-yl]-1-carboxypropyl]-trimethylazanium
CAS number
75645-23-7
Molecular formula
C13H23N4O4+
InChIKey
CBQVLMCHMFGPMX-UWVGGRQHSA-O
InChI
InChI=1S/C13H22N4O4/c1-17(2,3)10(13(20)21)4-5-11-15-7-8(16-11)6-9(14)12(18)19/h7,9-10H,4-6,14H2,1-3H3,(H2-,15,16,18,19,20,21)/p+1/t9-,10-/m0/s1
Canonical SMILES
C[N+](C)(C)C(CCc1ncc(CC(N)C(=O)O)[nH]1)C(=O)O
Isomeric SMILES
C[N+](C)(C)[C@@H](CCC1=NC=C(N1)C[C@@H](C(=O)O)N)C(=O)O

Synonyms

  • EF-2 diphthine
  • Elongation factor 2 diphthine
  • 2-[(3S)-3-carboxy-3-(trimethylammonio)propyl]-L-histidine
  • 2-((3S)-3-carboxy-3-(trimethylammonio)propyl)-L-histidine
  • 1H-Imidazole-2-propanaminium, 4-(2-amino-2-carboxyethyl)-alpha-carboxy-N,N,N-trimethyl-, hydroxide, inner salt
  • [(1S)-3-[5-[(2S)-2-amino-2-carboxyethyl]-1H-imidazol-2-yl]-1-carboxypropyl]-trimethylazanium
  • (1S)-3-{4-[(2S)-2-amino-2-carboxyethyl]-1H-imidazol-2-yl}-1-carboxy-N,N,N-trimethylpropan-1-aminium

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
299.35 g/molcalc.
Exact mass
299.1714 Dacalc.
LogP (octanol/water)
-0.54calc.
Topological polar surface area
129.3 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
8calc.
Heavy atoms
21calc.
Rings
1calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.62calc.
Formal charge
1calc.
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, c1c[nH]cn1

c1c[nH]cn1

1 ring, 5 atoms, the Imidazole ring system.

14,448 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.

Diphthine suppliers

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Diphthine price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

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 Diphthine is traded under.

HS 2933.29Indicative HS code

Compounds containing an unfused imidazole ring (whether or not hydrogenated) in the…

World exports in 2024
$1.43B
−7.6% vs 2023, imports $1.47B
2019 to 2024
Top exporters
  1. China28.1%
  2. France * partner reported12.7%
  3. India * partner reported10.3%
Top importers
  1. United Kingdom13.0%
  2. United States7.9%
  3. China6.5%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Diphthine?

Diphthine is a quaternary ammonium ion consisting of L-histidine with a 3-(trimethylammonio)-3-carboxypropyl group at the 2-position of the the imidazole ring. It is a conjugate acid of a diphthinate.

What is the CAS number of Diphthine?

The CAS registry number of Diphthine is 75645-23-7.

What is the molecular formula and weight of Diphthine?

The molecular formula of Diphthine is C13H23N4O4+ and its molar mass is 299.35 g/mol.

Is Diphthine hazardous?

No GHS hazard classification for Diphthine 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 Diphthine?

Diphthine is usually classified under HS code 293329 (Compounds containing an unfused imidazole ring (whether or not hydrogenated) in the…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Diphthine?

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What is the price of Diphthine?

Suppliers quote Diphthine 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 Diphthine

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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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