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139549-68-1

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Basic Information
CAS No.: 139549-68-1
Name: 1-Dodecylpyridinium chloride
Molecular Structure:
Molecular Structure of 139549-68-1 (1-Dodecylpyridinium chloride)
Formula: C17H30 N . Cl . H2 O
Molecular Weight: 283.8798
Synonyms: 1-Dodecylpyridinium chloride
EINECS: 203-232-2
Melting Point: 66-70 °C(lit.)
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-37/39
PSA: 13.11000
LogP: 1.83470
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Chemistry

Molecular Structure of Laurylpyridinum chloride (CAS NO.139549-68-1):

Systematic Name: 1-Dodecylpyridinium chloride hydrate (1:1:1) 
Molecular Formula: C17H32ClNO
Molecular Weight: 301.8951 
Mol File: 139549-68-1.mol
Melting Point: 66-70 °C(lit.)
H bond acceptors: 2
H bond donors: 2
Freely Rotating Bonds: 11
SMILES: [Cl-].O.CCCCCCCCCCCC[n+]1ccccc1
InChI: InChI=1/C17H30N.ClH.H2O/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18;;/h11,13-14,16-17H,2-10,12,15H2,1H3;1H;1H2/q+1;;/p-1
InChIKey: BDGGUWSWAKGEGH-REWHXWOFAU

Safety Profile

Safety Information of Laurylpyridinum chloride (CAS NO.139549-68-1):
Hazard Codes: IrritantXi 
Risk Statements: 36/37/38 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-37/39 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S37/39:Wear suitable gloves and eye/face protection.
WGK Germany: 3

Specification

 Laurylpyridinum chloride (CAS NO.139549-68-1), its Synonyms are Pyridinium,1-dodecyl-, chloride, hydrate (1:1:1) ; 1-Dodecylpyridinium chloride ;  Pyridinium,1-dodecyl-,chloride,monohydrate .