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113396-33-1 | 1-Propanamine, 2-methyl-N,N-bis(2-methylpropyl)-, hydrochloride (1:1)
CAS No: 113396-33-1 Catalog No: AG0008F6 MDL No:
Product Description
Catalog Number:
AG0008F6
Chemical Name:
1-Propanamine, 2-methyl-N,N-bis(2-methylpropyl)-, hydrochloride (1:1)
CAS Number:
113396-33-1
Molecular Formula:
C12H28ClN
Molecular Weight:
221.8104
IUPAC Name:
2-methyl-N,N-bis(2-methylpropyl)propan-1-amine;hydrochloride
InChI:
InChI=1S/C12H27N.ClH/c1-10(2)7-13(8-11(3)4)9-12(5)6;/h10-12H,7-9H2,1-6H3;1H
InChI Key:
JHBBVSNPCAYYIA-UHFFFAOYSA-N
SMILES:
CC(CN(CC(C)C)CC(C)C)C.Cl
Properties
Complexity:
92.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.191g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.813g/mol
Monoisotopic Mass:
221.191g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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