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10361-16-7

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Basic Information
CAS No.: 10361-16-7
Name: Octyldodecyldimethylammonium chloride
Molecular Structure:
Molecular Structure of 10361-16-7 (Octyldodecyldimethylammonium chloride)
Formula: C22H48ClN
Molecular Weight: 362.083
Synonyms: 1-Dodecanaminium,N,N-dimethyl-N-octyl-, chloride (9CI);Ammonium, dodecyldimethyloctyl-,chloride (8CI);BTC 812;Dodecyldimethyloctylammonium chloride;Osban;
PSA: 0.00000
LogP: 4.34820
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Specification

This chemical is called Octyldodecyldimethylammonium chloride, and its IUPAC name is dodecyl-dimethyl-octylazanium chloride. With the molecular formula of C22H48ClN, its molecular weight is 362.08. The CAS registry number of this chemical is 10361-16-7.

Other characteristics of the Octyldodecyldimethylammonium chloride can be summarised as followings: (1).ACD/LogP: 2.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.51; (4)ACD/LogD (pH 7.4): 2.51; (5)ACD/BCF (pH 5.5): 47.85; (6)ACD/BCF (pH 7.4): 47.85; (7)ACD/KOC (pH 5.5): 554.71; (8)ACD/KOC (pH 7.4): 554.71; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 18; (12)Polar Surface Area: 0 Å2; (13)Rotatable Bond Count: 18; (14)Heavy Atom Count: 24; (15)Complexity: 222; (16)Covalently-Bonded Unit Count: 2.

You can still convert the following datas into molecular structure: 
1.SMILES: [Cl-].C(CCCCC[N+](C)(CCCCCCCC)C)CCCCCC
2.InChI: InChI=1/C22H48N.ClH/c1-5-7-9-11-13-14-15-16-18-20-22-23(3,4)21-19-17-12-10-8-6-2;/h5-22H2,1-4H3;1H/q+1;/p-1
3.InChIKey: NLFTWRWHIFBVRC-REWHXWOFAD