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1392237-64-7 | Ethanol, 2-[(6-amino-4-pyrimidinyl)methylamino]-
CAS No: 1392237-64-7 Catalog No: AG001AID MDL No:MFCD23983904
Product Description
Catalog Number:
AG001AID
Chemical Name:
Ethanol, 2-[(6-amino-4-pyrimidinyl)methylamino]-
CAS Number:
1392237-64-7
Molecular Formula:
C7H12N4O
Molecular Weight:
168.1964
MDL Number:
MFCD23983904
IUPAC Name:
2-[(6-aminopyrimidin-4-yl)-methylamino]ethanol
InChI:
InChI=1S/C7H12N4O/c1-11(2-3-12)7-4-6(8)9-5-10-7/h4-5,12H,2-3H2,1H3,(H2,8,9,10)
InChI Key:
CLLYPIMBHAAFDT-UHFFFAOYSA-N
SMILES:
Nc1cc(CNCCO)ncn1
Properties
Complexity:
133
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.101g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
168.2g/mol
Monoisotopic Mass:
168.101g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
75.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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