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429659-01-8

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429659-01-8 Structure

429659-01-8 Structure
IdentificationBack Directory
[Name]

ETHYL N-[4-(METHYLAMINO)-3-NITROBENZOYL]-N-PYRIDIN-2-YL-SS-ALANINATE
[CAS]

429659-01-8
[Synonyms]

Dabigatran Etexilate Impurity 88
N-[4-(methylamino)-3-nitrobenzoyl]-N-2-pyridinyl-alanine eth...
Ethyl 3-(4-(ethylaMino)-3-nitro-N-(pyridin-2-yl)benzaMido)propanoate
N-[4-(MethylaMino)-3-nitrobenzoyl]-N-2-pyridinyl-alanine ethyl ester
ETHYL N-[4-(METHYLAMINO)-3-NITROBENZOYL]-N-PYRIDIN-2-YL-SS-ALANINATE
Ethyl 3-(4-(methylamino)-3-nitro-N-(pyridin-2-yl)benzamido)propanoate
Ethyl 3-[[4-(Methylamino)-3-nitrobenzoyl]-(2-pyridyl)amino]propanoate
Ethyl 3-[(3-Nitro-4- methylaminobenzoyl)pyridin-2- ylamino]propionate
Ethyl 3-[[4-(MethylaMino)-3-nitrobenzoyl](pyridin-2-yl)aMino]propanoate
N-[4-(MethylaMino)-3-nitrobenzoyl]-N-2-pyridinyl-, ethyl ester Alanine
b-Alanine,N-[4-(MethylaMino)-3-nitrobenzoyl]-N-2-pyridinyl-, ethyl ester
ETHYL-3-(4-(METHYL AMINO)-3-NITRO-N-(PYR IDIN-2-YL)BENZAMIDO)PROPANONATE
β-Alanine, N-[4-(MethylaMino)-3-nitrobenzoyl]-N-2-pyridinyl-, ethyl ester
ethyl 3-{1-[4-(MethylaMino)-3-nitrophenyl]-N-(pyridin-2-yl)forMaMido}propanoate
[EINECS(EC#)]

454-450-1
[Molecular Formula]

C18H20N4O5
[MDL Number]

MFCD09833623
[MOL File]

429659-01-8.mol
[Molecular Weight]

372.38
Chemical PropertiesBack Directory
[Melting point ]

86-88 °C
[Boiling point ]

583.3±50.0 °C(Predicted)
[density ]

1.325±0.06 g/cm3(Predicted)
[vapor pressure ]

0.001Pa at 20-32℃
[storage temp. ]

Storage temp. 2-8°C
[pka]

2.62±0.10(Predicted)
[Appearance]

Light yellow to yellow Solid
[InChI]

InChI=1S/C19H22N4O5/c1-3-20-15-9-8-14(13-16(15)23(26)27)19(25)22(12-10-18(24)28-4-2)17-7-5-6-11-21-17/h5-9,11,13,20H,3-4,10,12H2,1-2H3
[InChIKey]

LAXHIELHMGBXNQ-UHFFFAOYSA-N
[SMILES]

C1(=C(C=CC(=C1)C(=O)N(C1N=CC=CC=1)CCC(OCC)=O)NCC)[N+](=O)[O-]
[LogP]

1.42 at 22℃ and pH7
[Surface tension]

62.5mN/m at 10g/L and 20℃
Safety DataBack Directory
[Hazard statements ]

H412
[Precautionary statements ]

P273-P501
[REACH Registrations]

Active
Hazard InformationBack Directory
[Uses]

Imatinib intermediate
Spectrum DetailBack Directory
[Spectrum Detail]

ETHYL N-[4-(METHYLAMINO)-3-NITROBENZOYL]-N-PYRIDIN-2-YL-SS-ALANINATE(429659-01-8)1HNMR
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