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20361-31-3 | 1H-3-Benzazepine, 2,3,4,5-tetrahydro-1-phenyl-3-(2-propen-1-yl)-
CAS No: 20361-31-3 Catalog No: AG00290V MDL No:
Product Description
Catalog Number:
AG00290V
Chemical Name:
1H-3-Benzazepine, 2,3,4,5-tetrahydro-1-phenyl-3-(2-propen-1-yl)-
CAS Number:
20361-31-3
Molecular Formula:
C19H21N
Molecular Weight:
263.3767
IUPAC Name:
5-phenyl-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine
InChI:
InChI=1S/C19H21N/c1-2-13-20-14-12-17-10-6-7-11-18(17)19(15-20)16-8-4-3-5-9-16/h2-11,19H,1,12-15H2
InChI Key:
SOOKFCWCHCJXHV-UHFFFAOYSA-N
SMILES:
C=CCN1CCc2c(C(C1)c1ccccc1)cccc2
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.167g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.384g/mol
Monoisotopic Mass:
263.167g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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