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20013-94-9 | 2-Propanol, 1-[(2,5-dimethylphenyl)amino]-3-[(1-methylethyl)amino]-, hydrochloride (1:2)
CAS No: 20013-94-9 Catalog No: AG002CKQ MDL No:
Product Description
Catalog Number:
AG002CKQ
Chemical Name:
2-Propanol, 1-[(2,5-dimethylphenyl)amino]-3-[(1-methylethyl)amino]-, hydrochloride (1:2)
CAS Number:
20013-94-9
Molecular Formula:
C14H26Cl2N2O
Molecular Weight:
309.2750
IUPAC Name:
1-(2,5-dimethylanilino)-3-(propan-2-ylamino)propan-2-ol;dihydrochloride
InChI:
InChI=1S/C14H24N2O.2ClH/c1-10(2)15-8-13(17)9-16-14-7-11(3)5-6-12(14)4;;/h5-7,10,13,15-17H,8-9H2,1-4H3;2*1H
InChI Key:
BHVNUVWUBTVIIY-UHFFFAOYSA-N
SMILES:
OC(CNc1cc(C)ccc1C)CNC(C)C.Cl.Cl
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.142g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
309.275g/mol
Monoisotopic Mass:
308.142g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
44.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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