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13748-14-6 | 1H-Azepine, hexahydro-2-propyl-
CAS No: 13748-14-6 Catalog No: AG0013CA MDL No:MFCD02663692
Product Description
Catalog Number:
AG0013CA
Chemical Name:
1H-Azepine, hexahydro-2-propyl-
CAS Number:
13748-14-6
Molecular Formula:
C9H19N
Molecular Weight:
141.2539
MDL Number:
MFCD02663692
IUPAC Name:
2-propylazepane
InChI:
InChI=1S/C9H19N/c1-2-6-9-7-4-3-5-8-10-9/h9-10H,2-8H2,1H3
InChI Key:
JTPMDWPBRFXVQO-UHFFFAOYSA-N
SMILES:
CCCC1CCCCCN1
Properties
Complexity:
80.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.152g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
141.258g/mol
Monoisotopic Mass:
141.152g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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