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120066-23-1 | 1,4,8,12-Tetraazacyclopentadecan-10-amine, 10-methyl-
CAS No: 120066-23-1 Catalog No: AG000Q80 MDL No:
Product Description
Catalog Number:
AG000Q80
Chemical Name:
1,4,8,12-Tetraazacyclopentadecan-10-amine, 10-methyl-
CAS Number:
120066-23-1
Molecular Formula:
C12H29N5
Molecular Weight:
243.3922
IUPAC Name:
10-methyl-1,4,8,12-tetrazacyclopentadecan-10-amine
InChI:
InChI=1S/C12H29N5/c1-12(13)10-16-6-2-4-14-8-9-15-5-3-7-17-11-12/h14-17H,2-11,13H2,1H3
InChI Key:
HQHRYFJPJCLTHA-UHFFFAOYSA-N
SMILES:
CC1(N)CNCCCNCCNCCCNC1
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.242g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
243.399g/mol
Monoisotopic Mass:
243.242g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.7
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