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1260815-10-8 | 2H-1,4-Benzoxazine-7-methanamine, 3,4-dihydro-
CAS No: 1260815-10-8 Catalog No: AG000RDL MDL No:
Product Description
Catalog Number:
AG000RDL
Chemical Name:
2H-1,4-Benzoxazine-7-methanamine, 3,4-dihydro-
CAS Number:
1260815-10-8
Molecular Formula:
C9H12N2O
Molecular Weight:
164.2044
IUPAC Name:
3,4-dihydro-2H-1,4-benzoxazin-7-ylmethanamine
InChI:
InChI=1S/C9H12N2O/c10-6-7-1-2-8-9(5-7)12-4-3-11-8/h1-2,5,11H,3-4,6,10H2
InChI Key:
KDUDQJGBDKOBBY-UHFFFAOYSA-N
SMILES:
NCc1ccc2c(c1)OCCN2
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.095g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
164.208g/mol
Monoisotopic Mass:
164.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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