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114153-80-9 | 1-Pentanol, 5-[(5-amino-6-chloro-4-pyrimidinyl)amino]-
CAS No: 114153-80-9 Catalog No: AG000APD MDL No:
Product Description
Catalog Number:
AG000APD
Chemical Name:
1-Pentanol, 5-[(5-amino-6-chloro-4-pyrimidinyl)amino]-
CAS Number:
114153-80-9
Molecular Formula:
C9H15ClN4O
Molecular Weight:
230.6946
IUPAC Name:
5-[(5-amino-6-chloropyrimidin-4-yl)amino]pentan-1-ol
InChI:
InChI=1S/C9H15ClN4O/c10-8-7(11)9(14-6-13-8)12-4-2-1-3-5-15/h6,15H,1-5,11H2,(H,12,13,14)
InChI Key:
FVSTUIFFPGEDSV-UHFFFAOYSA-N
SMILES:
Nc1c(NCCCCCO)ncnc1Cl
NSC Number:
159711
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.093g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
230.696g/mol
Monoisotopic Mass:
230.093g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
84.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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