acetic acid; methyl 4-carbamimidoylbenzoate

Compound number
MolPort-000-004-530
CAS number
1172889-96-1
IUPAC
acetic acid; methyl 4-carbamimidoylbenzoate
IUPAC traditional
acetic acid; methyl 4-carbamimidoylbenzoate
SMILES
CC(O)=O.COC(=O)c1ccc(cc1)C(N)=N
InChI key
TUVVLNOOAWJSEQ-UHFFFAOYSA-N
Molecular formula
Molecular weight
238.243
DMSO Solubility
Not known

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BLD Pharmatech Co., Limited

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Building blocks
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31.00 g

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25 g October 3, 2022 1240.00 USD
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BLD Pharmatech Ltd.

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Building blocks
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34.00 g

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250 mg October 12, 2022 42.00 USD
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Synthonix

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Building blocks
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65.00 g

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250 mg October 3, 2022 60.00 USD
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1 g October 3, 2022 140.00 USD
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5 g October 3, 2022 480.00 USD
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BIONET - Key Organics Ltd.

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Building blocks
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10.00 g

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5 g October 12, 2022 484.00 USD
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10 g October 12, 2022 858.00 USD
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MedChemExpress (made-to-order)

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250 mg October 26, 2022 42.90 USD
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1 g October 26, 2022 106.70 USD
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5 g October 26, 2022 377.30 USD
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Chemscene (made to order)

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250 mg October 26, 2022 43.00 USD
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1 g October 26, 2022 107.00 USD
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5 g October 26, 2022 376.00 USD
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Fluorochem (made-to-order)

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Building blocks
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1 g October 26, 2022 250.25 USD
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10 g October 26, 2022 1122.55 USD
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Compound identifiers

Compound number
MolPort-000-004-530
CAS number
1172889-96-1

Names, Synonyms and 3rd Party Identifiers

Name
4-(Aminoiminomethyl)-benzoic acid, methyl ester
4-Methoxycarbonyl-benzamidine HOAc
METHYL 4-CARBAMIMIDOYLBENZOATE ACETATE
METHYLCARBAMIMIDOYLBENZOATEACETATE 4-
MFCD08166275

InChI

InChI
1/C9H10N2O2.C2H4O2/c1-13-9(12)7-4-2-6(3-5-7)8(10)11;1-2(3)4/h2-5H,1H3,(H3,10,11);1H3,(H,3,4)
InChI key
TUVVLNOOAWJSEQ-UHFFFAOYSA-N

Formula

Molecular formula
C11H14N2O4
Molecular weight
238.243

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