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6114-26-7

6114-26-7 | Phenol, 4-[2-(methylamino)propyl]-, sulfate (2:1) (salt)

CAS No: 6114-26-7 Catalog No: AG01FOJM MDL No:

Product Description

Catalog Number:
AG01FOJM
Chemical Name:
Phenol, 4-[2-(methylamino)propyl]-, sulfate (2:1) (salt)
CAS Number:
6114-26-7
IUPAC Name:
4-[2-(methylamino)propyl]phenol;sulfuric acid
InChI:
InChI=1S/2C10H15NO.H2O4S/c2*1-8(11-2)7-9-3-5-10(12)6-4-9;1-5(2,3)4/h2*3-6,8,11-12H,7H2,1-2H3;(H2,1,2,3,4)
InChI Key:
WUORSSYNZWHFQY-UHFFFAOYSA-N
EC Number:
228-083-0

Properties

Complexity:
200  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
428.198g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
6  
Isotope Atom Count:
0
Molecular Weight:
428.544g/mol
Monoisotopic Mass:
428.198g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
148A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0

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