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84083-12-5 | 1-Propanaminium,3-amino-N-(3-hydroxypropyl)-N,N-dimethyl-, chloride (1:1)
CAS No: 84083-12-5 Catalog No: AG0050BP MDL No:
Product Description
Catalog Number:
AG0050BP
Chemical Name:
1-Propanaminium,3-amino-N-(3-hydroxypropyl)-N,N-dimethyl-, chloride (1:1)
CAS Number:
84083-12-5
Molecular Formula:
C8H21ClN2O
Molecular Weight:
196.7181
IUPAC Name:
3-aminopropyl-(3-hydroxypropyl)-dimethylazanium;chloride
InChI:
InChI=1S/C8H21N2O.ClH/c1-10(2,6-3-5-9)7-4-8-11;/h11H,3-9H2,1-2H3;1H/q+1;/p-1
InChI Key:
LKXWFUAGRRXOSR-UHFFFAOYSA-M
SMILES:
NCCC[N+](CCCO)(C)C.[Cl-]
EC Number:
282-061-5
Properties
Complexity:
94.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.134g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
196.719g/mol
Monoisotopic Mass:
196.134g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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