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1385696-34-3 | 4-[(3-Bromophenyl)methyl]oxan-4-amine hydrochloride
CAS No: 1385696-34-3 Catalog No: AG01F8SQ MDL No:
Product Description
Catalog Number:
AG01F8SQ
Chemical Name:
4-[(3-Bromophenyl)methyl]oxan-4-amine hydrochloride
CAS Number:
1385696-34-3
Molecular Formula:
C12H17BrClNO
Molecular Weight:
306.6265
IUPAC Name:
4-[(3-bromophenyl)methyl]oxan-4-amine;hydrochloride
InChI:
InChI=1S/C12H16BrNO.ClH/c13-11-3-1-2-10(8-11)9-12(14)4-6-15-7-5-12;/h1-3,8H,4-7,9,14H2;1H
InChI Key:
SKRHDQIKXQODEP-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)CC1(N)CCOCC1.Cl
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.018g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
306.628g/mol
Monoisotopic Mass:
305.018g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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