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100310-99-4 | 1-Benzazocine-1(2H)-ethanamine, 3,4,5,6-tetrahydro-, acetate (1:1)
CAS No: 100310-99-4 Catalog No: AG0001M1 MDL No:
Product Description
Catalog Number:
AG0001M1
Chemical Name:
1-Benzazocine-1(2H)-ethanamine, 3,4,5,6-tetrahydro-, acetate (1:1)
CAS Number:
100310-99-4
Molecular Formula:
C15H24N2O2
Molecular Weight:
264.3633
IUPAC Name:
acetic acid;2-(3,4,5,6-tetrahydro-2H-1-benzazocin-1-yl)ethanamine
InChI:
InChI=1S/C13H20N2.C2H4O2/c14-9-11-15-10-5-1-2-6-12-7-3-4-8-13(12)15;1-2(3)4/h3-4,7-8H,1-2,5-6,9-11,14H2;1H3,(H,3,4)
InChI Key:
HQGBJQUVQHPPIQ-UHFFFAOYSA-N
SMILES:
CC(=O)O.NCCN1CCCCCc2c1cccc2
NSC Number:
659259
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.184g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
264.369g/mol
Monoisotopic Mass:
264.184g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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