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123617-55-0 | 1-Propanaminium, N,2-dimethyl-N,N-bis(2-methylpropyl)-, chloride (1:1)
CAS No: 123617-55-0 Catalog No: AG000KVO MDL No:
Product Description
Catalog Number:
AG000KVO
Chemical Name:
1-Propanaminium, N,2-dimethyl-N,N-bis(2-methylpropyl)-, chloride (1:1)
CAS Number:
123617-55-0
Molecular Formula:
C13H30ClN
Molecular Weight:
235.8370
IUPAC Name:
methyl-tris(2-methylpropyl)azanium;chloride
InChI:
InChI=1S/C13H30N.ClH/c1-11(2)8-14(7,9-12(3)4)10-13(5)6;/h11-13H,8-10H2,1-7H3;1H/q+1;/p-1
InChI Key:
HURTUMMIGPLYMH-UHFFFAOYSA-M
SMILES:
CC(C[N+](CC(C)C)(CC(C)C)C)C.[Cl-]
Properties
Complexity:
121
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.207g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.84g/mol
Monoisotopic Mass:
235.207g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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