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13210-47-4 | 1-Butanol, 2-(1-phthalazinylamino)-
CAS No: 13210-47-4 Catalog No: AG00108F MDL No:
Product Description
Catalog Number:
AG00108F
Chemical Name:
1-Butanol, 2-(1-phthalazinylamino)-
CAS Number:
13210-47-4
Molecular Formula:
C12H15N3O
Molecular Weight:
217.2670
IUPAC Name:
2-(phthalazin-1-ylamino)butan-1-ol
InChI:
InChI=1S/C12H15N3O/c1-2-10(8-16)14-12-11-6-4-3-5-9(11)7-13-15-12/h3-7,10,16H,2,8H2,1H3,(H,14,15)
InChI Key:
XVMARLREBBIJEC-UHFFFAOYSA-N
SMILES:
CCC(Nc1nncc2c1cccc2)CO
NSC Number:
111245
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.122g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
217.272g/mol
Monoisotopic Mass:
217.122g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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