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13150-35-1 | Benzhydrol, α-[(sec-butylamino)methyl]- (8CI)
CAS No: 13150-35-1 Catalog No: AG000ZAO MDL No:
Product Description
Catalog Number:
AG000ZAO
Chemical Name:
Benzhydrol, α-[(sec-butylamino)methyl]- (8CI)
CAS Number:
13150-35-1
Molecular Formula:
C18H23NO
Molecular Weight:
269.3813
IUPAC Name:
2-(butan-2-ylamino)-1,1-diphenylethanol
InChI:
InChI=1S/C18H23NO/c1-3-15(2)19-14-18(20,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,15,19-20H,3,14H2,1-2H3
InChI Key:
IYXUNALTWBOJDN-UHFFFAOYSA-N
SMILES:
CCC(NCC(c1ccccc1)(c1ccccc1)O)C
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.178g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
269.388g/mol
Monoisotopic Mass:
269.178g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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