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78371-85-4 | Urea,N,N'-bis(2-chloro-6-methylphenyl)-N'-[2-(1-pyrrolidinyl)ethyl]-, hydrochloride(1:1)
CAS No: 78371-85-4 Catalog No: AG0053KH MDL No:
Product Description
Catalog Number:
AG0053KH
Chemical Name:
Urea,N,N'-bis(2-chloro-6-methylphenyl)-N'-[2-(1-pyrrolidinyl)ethyl]-, hydrochloride(1:1)
CAS Number:
78371-85-4
Molecular Formula:
C21H26Cl3N3O
Molecular Weight:
442.8096
IUPAC Name:
1,3-bis(2-chloro-6-methylphenyl)-1-(2-pyrrolidin-1-ylethyl)urea;hydrochloride
InChI:
InChI=1S/C21H25Cl2N3O.ClH/c1-15-7-5-9-17(22)19(15)24-21(27)26(14-13-25-11-3-4-12-25)20-16(2)8-6-10-18(20)23;/h5-10H,3-4,11-14H2,1-2H3,(H,24,27);1H
InChI Key:
JJNOYDFFRLEMAO-UHFFFAOYSA-N
SMILES:
O=C(N(c1c(C)cccc1Cl)CCN1CCCC1)Nc1c(C)cccc1Cl.Cl
Properties
Complexity:
486
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
441.114g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
442.809g/mol
Monoisotopic Mass:
441.114g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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