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1385696-40-1 | 4-[(2-Bromophenyl)methyl]oxan-4-amine hydrochloride
CAS No: 1385696-40-1 Catalog No: AG01F8ST MDL No:
Product Description
Catalog Number:
AG01F8ST
Chemical Name:
4-[(2-Bromophenyl)methyl]oxan-4-amine hydrochloride
CAS Number:
1385696-40-1
Molecular Formula:
C12H17BrClNO
Molecular Weight:
306.6265
IUPAC Name:
4-[(2-bromophenyl)methyl]oxan-4-amine;hydrochloride
InChI:
InChI=1S/C12H16BrNO.ClH/c13-11-4-2-1-3-10(11)9-12(14)5-7-15-8-6-12;/h1-4H,5-9,14H2;1H
InChI Key:
QLKZGOUEUFPXQU-UHFFFAOYSA-N
SMILES:
Brc1ccccc1CC1(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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