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13858-89-4 | 2-Benzoxazolamine, N,N-dimethyl-
CAS No: 13858-89-4 Catalog No: AG0018S9 MDL No:
Product Description
Catalog Number:
AG0018S9
Chemical Name:
2-Benzoxazolamine, N,N-dimethyl-
CAS Number:
13858-89-4
Molecular Formula:
C9H10N2O
Molecular Weight:
162.1885
IUPAC Name:
N,N-dimethyl-1,3-benzoxazol-2-amine
InChI:
InChI=1S/C9H10N2O/c1-11(2)9-10-7-5-3-4-6-8(7)12-9/h3-6H,1-2H3
InChI Key:
VYLUUNJZSOFGRJ-UHFFFAOYSA-N
SMILES:
CN(c1nc2c(o1)cccc2)C
NSC Number:
114996
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.079g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.192g/mol
Monoisotopic Mass:
162.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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