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124936-75-0

124936-75-0 | Phenol, 2-[3-[bis(1-methylethyl)amino]-1-phenylpropyl]-4-methyl-, hydrochloride (1:1)

CAS No: 124936-75-0 Catalog No: AG000MWC MDL No:MFCD09744001

Product Description

Catalog Number:
AG000MWC
Chemical Name:
Phenol, 2-[3-[bis(1-methylethyl)amino]-1-phenylpropyl]-4-methyl-, hydrochloride (1:1)
CAS Number:
124936-75-0
Molecular Formula:
C22H32ClNO
Molecular Weight:
361.9486
MDL Number:
MFCD09744001
IUPAC Name:
2-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-methylphenol;hydrochloride
InChI:
InChI=1S/C22H31NO.ClH/c1-16(2)23(17(3)4)14-13-20(19-9-7-6-8-10-19)21-15-18(5)11-12-22(21)24;/h6-12,15-17,20,24H,13-14H2,1-5H3;1H
InChI Key:
FSUOGWPKKKHHHM-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)C(c1ccccc1)CCN(C(C)C)C(C)C)O.Cl

Properties

Complexity:
340  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
361.217g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
361.954g/mol
Monoisotopic Mass:
361.217g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
23.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0

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