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2-dodecylisoquinolin-2-ium;4-methylbenzenesulfonate

2-dodecylisoquinolin-2-ium;4-methylbenzenesulfonate structure

CAS No:
5412-37-3
Formula:
C28H39NO3S
Chemical Name:
2-dodecylisoquinolin-2-ium;4-methylbenzenesulfonate
Synonyms:
2-Dodecylisoquinolinium tosylate;5412-37-3;2-Dodecylisoquinolinium p-toluenesulfonate;NSC 4486;ISOQUINOLINIUM, 2-DODECYL-, p-TOLUENESULFONATE;DSSTox_CID_26858;DSSTox_RID_81966;DSSTox_GSID_46858;CHEMBL2355796;DTXSID0046858;NSC4486;Isoquinolinium, p-toluenesulfonate;NSC-4486;Tox21_112732;CAS-5412-37-3;WLN: T66 CKJ C12 &Q &WSO&R D1;Isoquinolinium, salt with 4-methylbenzenesulfonic acid (1:1);Isoquinolinium, 2-dodecyl-, salt with 4-methylbenzenesulfonic acid (1:1) (9CI)

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2-dodecylisoquinolin-2-ium;4-methylbenzenesulfonate Basic Attributes

Molecular Weight：

469.7 g/mol

Exact Mass：

469.26506528 g/mol

NSC Number：

4486

DSSTox ID：

DTXSID0046858

Characteristics

PSA：

69.5 Å²

Computed Properties

Molecular Weight:469.7
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:11
Exact Mass:469.26506528
Monoisotopic Mass:469.26506528
Topological Polar Surface Area:69.5
Heavy Atom Count:33
Complexity:456
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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Guide of 2-dodecylisoquinolin-2-ium;4-methylbenzenesulfonate

Basic Attributes
Characteristics
Computed Properties

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