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20014-14-6 | 2-Propanol, 1-[bis(phenylmethyl)amino]-3-[(1-methylethyl)amino]-, hydrochloride (1:2)
CAS No: 20014-14-6 Catalog No: AG002CKI MDL No:
Product Description
Catalog Number:
AG002CKI
Chemical Name:
2-Propanol, 1-[bis(phenylmethyl)amino]-3-[(1-methylethyl)amino]-, hydrochloride (1:2)
CAS Number:
20014-14-6
Molecular Formula:
C20H30Cl2N2O
Molecular Weight:
385.3710
IUPAC Name:
1-(dibenzylamino)-3-(propan-2-ylamino)propan-2-ol;dihydrochloride
InChI:
InChI=1S/C20H28N2O.2ClH/c1-17(2)21-13-20(23)16-22(14-18-9-5-3-6-10-18)15-19-11-7-4-8-12-19;;/h3-12,17,20-21,23H,13-16H2,1-2H3;2*1H
InChI Key:
YJQFUPUCGQEREW-UHFFFAOYSA-N
SMILES:
OC(CN(Cc1ccccc1)Cc1ccccc1)CNC(C)C.Cl.Cl
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
384.174g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
385.373g/mol
Monoisotopic Mass:
384.174g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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