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10132-29-3 | 4-Pyrimidinamine, N-butyl-
CAS No: 10132-29-3 Catalog No: AG000483 MDL No:
Product Description
Catalog Number:
AG000483
Chemical Name:
4-Pyrimidinamine, N-butyl-
CAS Number:
10132-29-3
Molecular Formula:
C8H13N3
Molecular Weight:
151.2089
IUPAC Name:
N-butylpyrimidin-4-amine
InChI:
InChI=1S/C8H13N3/c1-2-3-5-10-8-4-6-9-7-11-8/h4,6-7H,2-3,5H2,1H3,(H,9,10,11)
InChI Key:
WNIZUFZJTRSKRR-UHFFFAOYSA-N
SMILES:
CCCCNc1ccncn1
Properties
Complexity:
95.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.111g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
151.213g/mol
Monoisotopic Mass:
151.111g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
37.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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