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113588-11-7 | 1(2H)-Pyrimidinepropanamine, N-heptadecenyl- (9CI)
CAS No: 113588-11-7 Catalog No: AG000930 MDL No:
Product Description
Catalog Number:
AG000930
Chemical Name:
1(2H)-Pyrimidinepropanamine, N-heptadecenyl- (9CI)
CAS Number:
113588-11-7
Molecular Formula:
C24H45N3
Molecular Weight:
375.6342
IUPAC Name:
N-[3-(2H-pyrimidin-1-yl)propyl]heptadec-1-en-1-amine
InChI:
InChI=1S/C24H45N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-25-20-17-22-27-23-18-21-26-24-27/h16,18-19,21,23,25H,2-15,17,20,22,24H2,1H3
InChI Key:
YLZBYMLHDTVRHT-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCC=CNCCCN1C=CC=NC1
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
375.361g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
375.645g/mol
Monoisotopic Mass:
375.361g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
27.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
8.5
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