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845885-85-0 | 1H-Azepine-1-propanamine,hexahydro-b,b-dimethyl-
CAS No: 845885-85-0 Catalog No: AG004QZL MDL No:MFCD06200874
Product Description
Catalog Number:
AG004QZL
Chemical Name:
1H-Azepine-1-propanamine,hexahydro-b,b-dimethyl-
CAS Number:
845885-85-0
Molecular Formula:
C11H24N2
Molecular Weight:
184.3217
MDL Number:
MFCD06200874
IUPAC Name:
3-(azepan-1-yl)-2,2-dimethylpropan-1-amine
InChI:
InChI=1S/C11H24N2/c1-11(2,9-12)10-13-7-5-3-4-6-8-13/h3-10,12H2,1-2H3
InChI Key:
SUDFIJJDSKVMSO-UHFFFAOYSA-N
SMILES:
NCC(CN1CCCCCC1)(C)C
Properties
Complexity:
135
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.194g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
184.327g/mol
Monoisotopic Mass:
184.194g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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