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- Purity: 99
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Keywords
Benzamide, 4-amino-N-(2-(((cyanoamino)((3-(3-(1-piperidinylmethyl)phenoxy)propyl)amino)methylene)amino)ethyl)-, ethanedioate (1:1) 4-amino-N-[2-[[N-cyano-N-[3-[3-(1-piperidylmethyl)phenoxy]propyl]carbamimidoyl]amino]ethyl]benzamide; oxalic acid 4-amino-N-[2-[[N-cyano-N-[3-[3-(1-piperidylmethyl)phenoxy]propyl]carbamimidoyl]amino]ethyl]benzamide; oxalic acid
Quick Details
- Appearance:
- Application:The Aminopotentidine, with the CAS registry number 140873-27-4, is also known as Benzamide, 4-amino-N-[2-[[(1Z)-(cyanoamino)[[3-[3-(1-piperidinylmethyl)phenoxy]propyl]amino]methylene]amino]ethyl]-, et
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- Transportation:The Aminopotentidine, with the CAS registry number 140873-27-4, is also known as Benzamide, 4-amino-N-[2-[[(1Z)-(cyanoamino)[[3-[3-(1-piperidinylmethyl)phenoxy]propyl]amino]methylene]amino]ethyl]-, et
Superiority:
The Aminopotentidine, with the CAS registry number 140873-27-4, is also known as Benzamide, 4-amino-N-[2-[[(1Z)-(cyanoamino)[[3-[3-(1-piperidinylmethyl)phenoxy]propyl]amino]methylene]amino]ethyl]-, ethanedioate (1:1). This chemical's molecular formula is C28H37N7O6 and molecular weight is 567.63668. Its IUPAC name is called 4-amino-N-[2-[[N-cyano-N'-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]carbamimidoyl]amino]ethyl]benzamide; oxalic acid.
Physical properties of Aminopotentidine: (1)ACD/LogP: 2.21; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -0.71; (4)ACD/LogD (pH 7.4): 0.72; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 12.24; (9)#H bond acceptors: 9; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 12; (12)Flash Point: 458.4 °C; (13)Enthalpy of Vaporization: 127.09 kJ/mol; (14)Boiling Point: 834.4 °C at 760 mmHg; (15)Vapour Pressure: 1.58E-29 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CCN(CC1)CC2=CC(=CC=C2)OCCCN=C(NCCNC(=O)C3=CC=C(C=C3)N)NC#N.C(=O)(C(=O)O)O
(2)InChI: InChI=1S/C26H35N7O2.C2H2O4/c27-20-32-26(31-14-13-29-25(34)22-8-10-23(28)11-9-22)30-12-5-17-35-24-7-4-6-21(18-24)19-33-15-2-1-3-16-33;3-1(4)2(5)6/h4,6-11,18H,1-3,5,12-17,19,28H2,(H,29,34)(H2,30,31,32);(H,3,4)(H,5,6)
(3)InChIKey: GQKBDAXMEZIMRZ-UHFFFAOYSA-N
Details:
The Aminopotentidine, with the CAS registry number 140873-27-4, is also known as Benzamide, 4-amino-N-[2-[[(1Z)-(cyanoamino)[[3-[3-(1-piperidinylmethyl)phenoxy]propyl]amino]methylene]amino]ethyl]-, ethanedioate (1:1). This chemical's molecular formula is C28H37N7O6 and molecular weight is 567.63668. Its IUPAC name is called 4-amino-N-[2-[[N-cyano-N'-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]carbamimidoyl]amino]ethyl]benzamide; oxalic acid.
Physical properties of Aminopotentidine: (1)ACD/LogP: 2.21; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -0.71; (4)ACD/LogD (pH 7.4): 0.72; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 12.24; (9)#H bond acceptors: 9; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 12; (12)Flash Point: 458.4 °C; (13)Enthalpy of Vaporization: 127.09 kJ/mol; (14)Boiling Point: 834.4 °C at 760 mmHg; (15)Vapour Pressure: 1.58E-29 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CCN(CC1)CC2=CC(=CC=C2)OCCCN=C(NCCNC(=O)C3=CC=C(C=C3)N)NC#N.C(=O)(C(=O)O)O
(2)InChI: InChI=1S/C26H35N7O2.C2H2O4/c27-20-32-26(31-14-13-29-25(34)22-8-10-23(28)11-9-22)30-12-5-17-35-24-7-4-6-21(18-24)19-33-15-2-1-3-16-33;3-1(4)2(5)6/h4,6-11,18H,1-3,5,12-17,19,28H2,(H,29,34)(H2,30,31,32);(H,3,4)(H,5,6)
(3)InChIKey: GQKBDAXMEZIMRZ-UHFFFAOYSA-N
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