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2305-34-2 | 1-Dodecanamine, N,N-didodecyl-, nitrate (1:1)
CAS No: 2305-34-2 Catalog No: AG002M0J MDL No:
Product Description
Catalog Number:
AG002M0J
Chemical Name:
1-Dodecanamine, N,N-didodecyl-, nitrate (1:1)
CAS Number:
2305-34-2
Molecular Formula:
C36H76N2O3
Molecular Weight:
585.0002
IUPAC Name:
N,N-didodecyldodecan-1-amine;nitric acid
InChI:
InChI=1S/C36H75N.HNO3/c1-4-7-10-13-16-19-22-25-28-31-34-37(35-32-29-26-23-20-17-14-11-8-5-2)36-33-30-27-24-21-18-15-12-9-6-3;2-1(3)4/h4-36H2,1-3H3;(H,2,3,4)
InChI Key:
DRYRCOQVHXXKOQ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)O.CCCCCCCCCCCCN(CCCCCCCCCCCC)CCCCCCCCCCCC
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
584.586g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
585.015g/mol
Monoisotopic Mass:
584.586g/mol
Rotatable Bond Count:
33
Topological Polar Surface Area:
69.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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