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101651-55-2 | Acetamide, 2-[[2-(diethylamino)ethyl](phenylmethyl)amino]-N-phenyl-, hydrochloride (1:2)
CAS No: 101651-55-2 Catalog No: AG00052C MDL No:
Product Description
Catalog Number:
AG00052C
Chemical Name:
Acetamide, 2-[[2-(diethylamino)ethyl](phenylmethyl)amino]-N-phenyl-, hydrochloride (1:2)
CAS Number:
101651-55-2
Molecular Formula:
C21H31Cl2N3O
Molecular Weight:
412.3963
IUPAC Name:
(2-anilino-2-oxoethyl)-benzyl-[2-(diethylazaniumyl)ethyl]azanium;dichloride
InChI:
InChI=1S/C21H29N3O.2ClH/c1-3-23(4-2)15-16-24(17-19-11-7-5-8-12-19)18-21(25)22-20-13-9-6-10-14-20;;/h5-14H,3-4,15-18H2,1-2H3,(H,22,25);2*1H
InChI Key:
GNPOOIITTQIYNU-UHFFFAOYSA-N
SMILES:
CCN(CCN(CC(=O)Nc1ccccc1)Cc1ccccc1)CC.Cl.Cl
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
411.184g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
412.399g/mol
Monoisotopic Mass:
411.184g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
38A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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