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204376-63-6 | 1H-Pyrrole-1-dodecanamine
CAS No: 204376-63-6 Catalog No: AG0029FS MDL No:
Product Description
Catalog Number:
AG0029FS
Chemical Name:
1H-Pyrrole-1-dodecanamine
CAS Number:
204376-63-6
Molecular Formula:
C16H30N2
Molecular Weight:
250.4228
IUPAC Name:
12-pyrrol-1-yldodecan-1-amine
InChI:
InChI=1S/C16H30N2/c17-13-9-7-5-3-1-2-4-6-8-10-14-18-15-11-12-16-18/h11-12,15-16H,1-10,13-14,17H2
InChI Key:
TXYWOBPGCTVVIL-UHFFFAOYSA-N
SMILES:
NCCCCCCCCCCCCn1cccc1
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.241g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.43g/mol
Monoisotopic Mass:
250.241g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
31A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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