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17745-77-6 | 2-Cyclohepten-1-amine
CAS No: 17745-77-6 Catalog No: AG0025C4 MDL No:
Product Description
Catalog Number:
AG0025C4
Chemical Name:
2-Cyclohepten-1-amine
CAS Number:
17745-77-6
Molecular Formula:
C7H13N
Molecular Weight:
111.1848
IUPAC Name:
cyclohept-2-en-1-amine
InChI:
InChI=1S/C7H13N/c8-7-5-3-1-2-4-6-7/h3,5,7H,1-2,4,6,8H2
InChI Key:
YSGNYFVGROSKQC-UHFFFAOYSA-N
SMILES:
NC1CCCCC=C1
Properties
Complexity:
86.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
111.105g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
111.188g/mol
Monoisotopic Mass:
111.105g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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