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84196-18-9 | 1,2-Butanediamine,N2-[1-(phenylmethyl)-4-piperidinyl]-
CAS No: 84196-18-9 Catalog No: AG004RYM MDL No:
Product Description
Catalog Number:
AG004RYM
Chemical Name:
1,2-Butanediamine,N2-[1-(phenylmethyl)-4-piperidinyl]-
CAS Number:
84196-18-9
Molecular Formula:
C16H27N3
Molecular Weight:
261.4057
IUPAC Name:
2-N-(1-benzylpiperidin-4-yl)butane-1,2-diamine
InChI:
InChI=1S/C16H27N3/c1-2-15(12-17)18-16-8-10-19(11-9-16)13-14-6-4-3-5-7-14/h3-7,15-16,18H,2,8-13,17H2,1H3
InChI Key:
QUFUCZKLZXBWAU-UHFFFAOYSA-N
SMILES:
CCC(NC1CCN(CC1)Cc1ccccc1)CN
EC Number:
282-427-4
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.22g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
261.413g/mol
Monoisotopic Mass:
261.22g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
41.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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