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876717-12-3 | 4-Piperidinemethanamine,4-(dimethylamino)-1-methyl-
CAS No: 876717-12-3 Catalog No: AG004H64 MDL No:MFCD05201717
Product Description
Catalog Number:
AG004H64
Chemical Name:
4-Piperidinemethanamine,4-(dimethylamino)-1-methyl-
CAS Number:
876717-12-3
Molecular Formula:
C9H21N3
Molecular Weight:
171.2831
MDL Number:
MFCD05201717
IUPAC Name:
4-(aminomethyl)-N,N,1-trimethylpiperidin-4-amine
InChI:
InChI=1S/C9H21N3/c1-11(2)9(8-10)4-6-12(3)7-5-9/h4-8,10H2,1-3H3
InChI Key:
YLOZCKVJAIJJEJ-UHFFFAOYSA-N
SMILES:
NCC1(CCN(CC1)C)N(C)C
Properties
Complexity:
137
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.174g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
171.288g/mol
Monoisotopic Mass:
171.174g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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