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20422-13-3 | 1H-Azepine, hexahydro-1-(phenylmethyl)-
CAS No: 20422-13-3 Catalog No: AG0029CK MDL No:MFCD09270815
Product Description
Catalog Number:
AG0029CK
Chemical Name:
1H-Azepine, hexahydro-1-(phenylmethyl)-
CAS Number:
20422-13-3
Molecular Formula:
C13H19N
Molecular Weight:
189.2967
MDL Number:
MFCD09270815
IUPAC Name:
1-benzylazepane
InChI:
InChI=1S/C13H19N/c1-2-7-11-14(10-6-1)12-13-8-4-3-5-9-13/h3-5,8-9H,1-2,6-7,10-12H2
InChI Key:
PTIVSZNNOUZBKM-UHFFFAOYSA-N
SMILES:
C1CCCCN(C1)Cc1ccccc1
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.152g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.302g/mol
Monoisotopic Mass:
189.152g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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