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1225380-12-0 | Benzenamine, 4-(3-methyl-3-oxetanyl)-
CAS No: 1225380-12-0 Catalog No: AG0017FA MDL No:MFCD20486517
Product Description
Catalog Number:
AG0017FA
Chemical Name:
Benzenamine, 4-(3-methyl-3-oxetanyl)-
CAS Number:
1225380-12-0
Molecular Formula:
C10H13NO
Molecular Weight:
163.2163
MDL Number:
MFCD20486517
IUPAC Name:
4-(3-methyloxetan-3-yl)aniline
InChI:
InChI=1S/C10H13NO/c1-10(6-12-7-10)8-2-4-9(11)5-3-8/h2-5H,6-7,11H2,1H3
InChI Key:
VLCQTNSZCIBOTL-UHFFFAOYSA-N
SMILES:
CC1(COC1)c1ccc(cc1)N
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.1g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
163.22g/mol
Monoisotopic Mass:
163.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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