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2088-78-0 | 1H-Azepine, hexahydro-, hydrochloride (1:1)
CAS No: 2088-78-0 Catalog No: AG002JWS MDL No:
Product Description
Catalog Number:
AG002JWS
Chemical Name:
1H-Azepine, hexahydro-, hydrochloride (1:1)
CAS Number:
2088-78-0
Molecular Formula:
C6H14ClN
Molecular Weight:
135.6351
IUPAC Name:
azepane;hydrochloride
InChI:
InChI=1S/C6H13N.ClH/c1-2-4-6-7-5-3-1;/h7H,1-6H2;1H
InChI Key:
GCGYREODZIZPLJ-UHFFFAOYSA-N
SMILES:
C1CCCCNC1.Cl
Properties
Complexity:
37.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
135.081g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
135.635g/mol
Monoisotopic Mass:
135.081g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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