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20013-88-1 | 2-Propanol, 1-[(1-methylethyl)amino]-3-[(3-methylphenyl)amino]-, hydrochloride (1:2)
CAS No: 20013-88-1 Catalog No: AG002CKT MDL No:
Product Description
Catalog Number:
AG002CKT
Chemical Name:
2-Propanol, 1-[(1-methylethyl)amino]-3-[(3-methylphenyl)amino]-, hydrochloride (1:2)
CAS Number:
20013-88-1
Molecular Formula:
C13H24Cl2N2O
Molecular Weight:
295.2485
IUPAC Name:
1-(3-methylanilino)-3-(propan-2-ylamino)propan-2-ol;dihydrochloride
InChI:
InChI=1S/C13H22N2O.2ClH/c1-10(2)14-8-13(16)9-15-12-6-4-5-11(3)7-12;;/h4-7,10,13-16H,8-9H2,1-3H3;2*1H
InChI Key:
OIPQGNFGIVIMFL-UHFFFAOYSA-N
SMILES:
OC(CNc1cccc(c1)C)CNC(C)C.Cl.Cl
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.127g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
295.248g/mol
Monoisotopic Mass:
294.127g/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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