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70557-32-3 | 1,2-Ethanediamine,N-[(4-methoxyphenyl)methyl]-N',N'-dimethyl-N-(2-pyridinyl-5-t)- (9CI)
CAS No: 70557-32-3 Catalog No: AG005I1F MDL No:
Product Description
Catalog Number:
AG005I1F
Chemical Name:
1,2-Ethanediamine,N-[(4-methoxyphenyl)methyl]-N',N'-dimethyl-N-(2-pyridinyl-5-t)- (9CI)
CAS Number:
70557-32-3
Molecular Formula:
C17H24N3O+
Molecular Weight:
286.3920
IUPAC Name:
2-[(4-methoxyphenyl)methyl-pyridin-2-ylamino]ethyl-dimethylazanium
InChI:
InChI=1S/C17H23N3O/c1-19(2)12-13-20(17-6-4-5-11-18-17)14-15-7-9-16(21-3)10-8-15/h4-11H,12-14H2,1-3H3/p+1
InChI Key:
YECBIJXISLIIDS-UHFFFAOYSA-O
SMILES:
COc1ccc(cc1)CN(c1ccccn1)CC[NH+](C)C
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.192g/mol
Formal Charge:
1
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
286.399g/mol
Monoisotopic Mass:
286.192g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
29.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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