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87000-39-3 | 1H-1-Benzazepine, 2,3-dihydro-2,3-dimethyl-, trans-
CAS No: 87000-39-3 Catalog No: AG004KAZ MDL No:
Product Description
Catalog Number:
AG004KAZ
Chemical Name:
1H-1-Benzazepine, 2,3-dihydro-2,3-dimethyl-, trans-
CAS Number:
87000-39-3
Molecular Formula:
C12H15N
Molecular Weight:
173.2542
IUPAC Name:
(2S,3R)-2,3-dimethyl-2,3-dihydro-1H-1-benzazepine
InChI:
InChI=1S/C12H15N/c1-9-7-8-11-5-3-4-6-12(11)13-10(9)2/h3-10,13H,1-2H3/t9-,10+/m1/s1
InChI Key:
FTZPQOCWLKCEJP-ZJUUUORDSA-N
SMILES:
C[C@@H]1Nc2ccccc2C=C[C@H]1C
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
173.12g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
173.259g/mol
Monoisotopic Mass:
173.12g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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