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73840-38-7 | 4-(BIS(2-CHLOROETHYL)AMINO)-1-METHYLPYRIDINIUM IODIDE
CAS No: 73840-38-7 Catalog No: AG005KBC MDL No:
Product Description
Catalog Number:
AG005KBC
Chemical Name:
4-(BIS(2-CHLOROETHYL)AMINO)-1-METHYLPYRIDINIUM IODIDE
CAS Number:
73840-38-7
Molecular Formula:
C10H15Cl2IN2
Molecular Weight:
361.0500
IUPAC Name:
N,N-bis(2-chloroethyl)-1-methylpyridin-1-ium-4-amine;iodide
InChI:
InChI=1S/C10H15Cl2N2.HI/c1-13-6-2-10(3-7-13)14(8-4-11)9-5-12;/h2-3,6-7H,4-5,8-9H2,1H3;1H/q+1;/p-1
InChI Key:
FGMBBQFCTNWYTA-UHFFFAOYSA-M
SMILES:
ClCCN(c1cc[n+](cc1)C)CCCl.[I-]
NSC Number:
92193
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
359.966g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
361.048g/mol
Monoisotopic Mass:
359.966g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
7.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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