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89316-74-5 | 1-Propanol, 3,3'-[(4-methylphenyl)imino]bis-, hydrochloride
CAS No: 89316-74-5 Catalog No: AG00404Z MDL No:
Product Description
Catalog Number:
AG00404Z
Chemical Name:
1-Propanol, 3,3'-[(4-methylphenyl)imino]bis-, hydrochloride
CAS Number:
89316-74-5
Molecular Formula:
C13H22ClNO2
Molecular Weight:
259.7723
IUPAC Name:
3-[N-(3-hydroxypropyl)-4-methylanilino]propan-1-ol;hydrochloride
InChI:
InChI=1S/C13H21NO2.ClH/c1-12-4-6-13(7-5-12)14(8-2-10-15)9-3-11-16;/h4-7,15-16H,2-3,8-11H2,1H3;1H
InChI Key:
TYEPLHJRUUZTPK-UHFFFAOYSA-N
SMILES:
OCCCN(c1ccc(cc1)C)CCCO.Cl
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.134g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
259.774g/mol
Monoisotopic Mass:
259.134g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
43.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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