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20013-99-4 | 2-Propanol, 1-[(3,5-dimethylphenyl)amino]-3-[(1-methylethyl)amino]-, hydrochloride (1:2)
CAS No: 20013-99-4 Catalog No: AG002CKO MDL No:
Product Description
Catalog Number:
AG002CKO
Chemical Name:
2-Propanol, 1-[(3,5-dimethylphenyl)amino]-3-[(1-methylethyl)amino]-, hydrochloride (1:2)
CAS Number:
20013-99-4
Molecular Formula:
C14H26Cl2N2O
Molecular Weight:
309.2750
IUPAC Name:
1-(3,5-dimethylanilino)-3-(propan-2-ylamino)propan-2-ol;dihydrochloride
InChI:
InChI=1S/C14H24N2O.2ClH/c1-10(2)15-8-14(17)9-16-13-6-11(3)5-12(4)7-13;;/h5-7,10,14-17H,8-9H2,1-4H3;2*1H
InChI Key:
POZWPLVFPKBWQM-UHFFFAOYSA-N
SMILES:
OC(CNc1cc(C)cc(c1)C)CNC(C)C.Cl.Cl
Properties
Complexity:
198
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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