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435345-20-3

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Basic Information
CAS No.: 435345-20-3
Name: N-(3-BENZYLAMINO-PROPYL)-NICOTINAMIDE
Molecular Structure:
Molecular Structure of 435345-20-3 (N-(3-BENZYLAMINO-PROPYL)-NICOTINAMIDE)
Formula: C16H20N3O
Molecular Weight: 270.349
Synonyms: N-(3-BENZYLAMINO-PROPYL)-NICOTINAMIDE
Boiling Point: 505 °C at 760 mmHg
Flash Point: 259.2 °C
PSA: 54.02000
LogP: 2.77310
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  • N-Benzyl-3-[(pyridin-3-ylcarbonyl)amino]propan-1-aminium

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    435345-20-3

    N-Benzyl-3-[(pyridin-3-ylcarbonyl)amino]propan-1-aminium

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  • N-(3-Benzylamino-propyl)-nicotinamide

  • Casno:

    435345-20-3

    N-(3-Benzylamino-propyl)-nicotinamide

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Specification

The N-Benzyl-3-[(pyridin-3-ylcarbonyl)amino]propan-1-aminium, with the CAS registry number 435345-20-3, is also known as ZINC01888785. This chemical's molecular formula is C16H20N3O and molecular weight is 270.160637. Its IUPAC name is called benzyl-[3-(pyridine-3-carbonylamino)propyl]azanium.

Physical properties of N-Benzyl-3-[(pyridin-3-ylcarbonyl)amino]propan-1-aminium: (1)ACD/LogP: 1.83; (2)ACD/LogD (pH 5.5): -1.2; (3)ACD/LogD (pH 7.4): -0.08; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 2.91; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 7; (11)Flash Point: 259.2 °C; (12)Enthalpy of Vaporization: 77.46 kJ/mol; (13)Boiling Point: 505 °C at 760 mmHg; (14)Vapour Pressure: 2.53E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)C[NH2+]CCCNC(=O)C2=CN=CC=C2
(2)InChI: InChI=1S/C16H19N3O/c20-16(15-8-4-9-18-13-15)19-11-5-10-17-12-14-6-2-1-3-7-14/h1-4,6-9,13,17H,5,10-12H2,(H,19,20)/p+1
(3)InChIKey: ZSPOJVVBIKEBIU-UHFFFAOYSA-O