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1017145-79-7 | Benzenepropanamine, β-ethyl-
CAS No: 1017145-79-7 Catalog No: AG0005AX MDL No:MFCD09894586
Product Description
Catalog Number:
AG0005AX
Chemical Name:
Benzenepropanamine, β-ethyl-
CAS Number:
1017145-79-7
Molecular Formula:
C11H17N
Molecular Weight:
163.2594
MDL Number:
MFCD09894586
IUPAC Name:
2-benzylbutan-1-amine
InChI:
InChI=1S/C11H17N/c1-2-10(9-12)8-11-6-4-3-5-7-11/h3-7,10H,2,8-9,12H2,1H3
InChI Key:
GGYONGNXNLXRAS-UHFFFAOYSA-N
SMILES:
CCC(Cc1ccccc1)CN
Properties
Complexity:
106
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.136g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
163.264g/mol
Monoisotopic Mass:
163.136g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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