CAS No.138470-70-9,Mozavaptan Hydrochloride Suppliers

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Basic Information

Molecular Structure:
CAS No.:	138470-70-9
Name:	Mozavaptan Hydrochloride

Formula:	C₂₇H₂₉N₃O₂·ClH
Molecular Weight:	464.01
Synonyms:	Benzamide,N-[4-[[5-(dimethylamino)-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl]carbonyl]phenyl]-2-methyl-,monohydrochloride (9CI);1H-1-Benzazepine, benzamide deriv.;
Boiling Point:	543 °C at 760 mmHg
Flash Point:	282.2 °C
Hazard Symbols:	Xn
Risk Codes:	22
PSA:	52.65000
LogP:	6.23060

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Specification

The Benzamide,N-[4-[[5-(dimethylamino)-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl]carbonyl]phenyl]-2-methyl-,hydrochloride (1:1), with the CAS registry number 138470-70-9, is also known as Mozavaptan hydrochloride. This chemical's molecular formula is C₂₇H₂₉N₃O₂·ClH and molecular weight is 464.01. What's more, both its IUPAC name and systematic name are the same which is called N-[4-[5-(Dimethylamino)-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]phenyl]-2-methylbenzamide hydrochloride.

Physical properties about Benzamide,N-[4-[[5-(dimethylamino)-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl]carbonyl]phenyl]-2-methyl-,hydrochloride (1:1) are: (1)ACD/LogP: 3.833; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.14; (4)ACD/LogD (pH 7.4): 2.79; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 43.89; (7)ACD/KOC (pH 5.5): 5.92; (8)ACD/KOC (pH 7.4): 263.90; (9)#H bond acceptors: 5; (10) #H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 43.86 Å²; (13)Flash Point: 282.2 °C; (14)Enthalpy of Vaporization: 82.12 kJ/mol; (15)Boiling Point: 543 °C at 760 mmHg; (16)Vapour Pressure: 7.49E-12 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Cl.O=C(c1ccccc1C)Nc2ccc(cc2)C(=O)N4c3ccccc3C(N(C)C)CCC4
(2) InChI: InChI=1S/C27H29N3O2.ClH/c1-19-9-4-5-10-22(19)26(31)28-21-16-14-20(15-17-21)27(32)30-18-8-13-24(29(2)3)23-11-6-7-12-25(23)30;/h4-7,9-12,14-17,24H,8,13,18H2,1-3H3,(H,28,31);1H
(3) InChIKey: MOROBKPIULFQDC-UHFFFAOYSA-N